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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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/test-f4bd3497/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/test-f4bd3497/inputs/seq.fa: 1
curr_seq: _AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AGAGUGAGUAGAAGCGGUCAGUGCAGGCAGCUGCGCGGGAAUUGCUCAGCAACCAUUUCGCGGUUCA
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 67 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: 340
n_atoms_counter: 340
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 67.000000 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: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -276.100411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.100411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.100411 (E_RNA)
where:
Base-Base interactions energy: -15.024
where: short stacking energy: -15.024
Base-Backbone interact. energy: -0.000
local terms energy: -261.075929
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -60.836
flat angles C4'-P-C4' energy: -49.193
flat angles P-C4'-P energy: -56.272
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -411.683061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.683061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.683061 (E_RNA)
where:
Base-Base interactions energy: -194.959
where: short stacking energy: -194.959
Base-Backbone interact. energy: -0.123
local terms energy: -216.601545
where:
bonds (distance) C4'-P energy: -38.108
bonds (distance) P-C4' energy: -46.774
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -28.734
tors. eta vs tors. theta energy: -52.744
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -359.983108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.983108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.983108 (E_RNA)
where:
Base-Base interactions energy: -166.917
where: short stacking energy: -165.769
Base-Backbone interact. energy: -0.081
local terms energy: -192.984597
where:
bonds (distance) C4'-P energy: -39.590
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -45.817
flat angles P-C4'-P energy: -25.083
tors. eta vs tors. theta energy: -36.595
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -342.835968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.835968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.835968 (E_RNA)
where:
Base-Base interactions energy: -146.656
where: short stacking energy: -146.409
Base-Backbone interact. energy: -0.203
local terms energy: -195.976529
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -45.294
flat angles C4'-P-C4' energy: -45.335
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: -39.493
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -331.411447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.411447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.411447 (E_RNA)
where:
Base-Base interactions energy: -176.773
where: short stacking energy: -114.902
Base-Backbone interact. energy: -1.301
local terms energy: -153.337079
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -42.727
flat angles C4'-P-C4' energy: -35.227
flat angles P-C4'-P energy: -22.008
tors. eta vs tors. theta energy: -18.566
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -301.096842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.096842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.096842 (E_RNA)
where:
Base-Base interactions energy: -134.458
where: short stacking energy: -106.534
Base-Backbone interact. energy: -1.253
local terms energy: -165.386283
where:
bonds (distance) C4'-P energy: -37.933
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -41.758
flat angles P-C4'-P energy: -26.906
tors. eta vs tors. theta energy: -18.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -299.482456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.482456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.482456 (E_RNA)
where:
Base-Base interactions energy: -124.833
where: short stacking energy: -109.899
Base-Backbone interact. energy: 1.099
local terms energy: -175.748325
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -44.300
flat angles C4'-P-C4' energy: -38.351
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -25.052
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -307.015052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.015052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.015052 (E_RNA)
where:
Base-Base interactions energy: -156.409
where: short stacking energy: -99.106
Base-Backbone interact. energy: 0.441
local terms energy: -151.047147
where:
bonds (distance) C4'-P energy: -36.047
bonds (distance) P-C4' energy: -44.176
flat angles C4'-P-C4' energy: -38.888
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: -8.806
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -277.384386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.384386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.384386 (E_RNA)
where:
Base-Base interactions energy: -16.899
where: short stacking energy: -16.899
Base-Backbone interact. energy: -0.000
local terms energy: -260.484862
where:
bonds (distance) C4'-P energy: -64.980
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -48.608
flat angles P-C4'-P energy: -56.234
tors. eta vs tors. theta energy: -29.833
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -277.260364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.260364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.260364 (E_RNA)
where:
Base-Base interactions energy: -16.899
where: short stacking energy: -16.899
Base-Backbone interact. energy: -0.000
local terms energy: -260.361705
where:
bonds (distance) C4'-P energy: -64.980
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -48.608
flat angles P-C4'-P energy: -56.234
tors. eta vs tors. theta energy: -29.710
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -277.824147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.824147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.824147 (E_RNA)
where:
Base-Base interactions energy: -17.462
where: short stacking energy: -17.462
Base-Backbone interact. energy: -0.000
local terms energy: -260.361705
where:
bonds (distance) C4'-P energy: -64.980
bonds (distance) P-C4' energy: -60.830
flat angles C4'-P-C4' energy: -48.608
flat angles P-C4'-P energy: -56.234
tors. eta vs tors. theta energy: -29.710
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: 3
Temperature: 0.900000
Total energy: -413.248069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.248069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.248069 (E_RNA)
where:
Base-Base interactions energy: -188.401
where: short stacking energy: -187.321
Base-Backbone interact. energy: -0.181
local terms energy: -224.666379
where:
bonds (distance) C4'-P energy: -42.051
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -30.238
tors. eta vs tors. theta energy: -52.744
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: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -397.471855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.471855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.471855 (E_RNA)
where:
Base-Base interactions energy: -194.309
where: short stacking energy: -170.572
Base-Backbone interact. energy: -0.095
local terms energy: -203.067580
where:
bonds (distance) C4'-P energy: -44.488
bonds (distance) P-C4' energy: -47.957
flat angles C4'-P-C4' energy: -44.709
flat angles P-C4'-P energy: -26.429
tors. eta vs tors. theta energy: -39.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -395.425063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.425063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.425063 (E_RNA)
where:
Base-Base interactions energy: -223.115
where: short stacking energy: -146.431
Base-Backbone interact. energy: 0.222
local terms energy: -172.532269
where:
bonds (distance) C4'-P energy: -37.437
bonds (distance) P-C4' energy: -50.693
flat angles C4'-P-C4' energy: -37.371
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -24.790
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: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -430.071930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.071930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.071930 (E_RNA)
where:
Base-Base interactions energy: -254.915
where: short stacking energy: -130.377
Base-Backbone interact. energy: -2.194
local terms energy: -172.963040
where:
bonds (distance) C4'-P energy: -46.178
bonds (distance) P-C4' energy: -49.547
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -15.247
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -346.053299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.053299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.053299 (E_RNA)
where:
Base-Base interactions energy: -189.354
where: short stacking energy: -108.100
Base-Backbone interact. energy: -0.803
local terms energy: -155.897109
where:
bonds (distance) C4'-P energy: -34.632
bonds (distance) P-C4' energy: -43.581
flat angles C4'-P-C4' energy: -40.389
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -17.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -370.378318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.378318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.378318 (E_RNA)
where:
Base-Base interactions energy: -208.509
where: short stacking energy: -114.043
Base-Backbone interact. energy: -1.951
local terms energy: -159.917753
where:
bonds (distance) C4'-P energy: -43.725
bonds (distance) P-C4' energy: -41.239
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -19.189
tors. eta vs tors. theta energy: -21.607
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -274.117208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.117208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.117208 (E_RNA)
where:
Base-Base interactions energy: -126.404
where: short stacking energy: -101.549
Base-Backbone interact. energy: 0.866
local terms energy: -148.579522
where:
bonds (distance) C4'-P energy: -37.863
bonds (distance) P-C4' energy: -38.365
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -18.853
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: 3
Temperature: 1.250000
Total energy: -227.089643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.089643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.089643 (E_RNA)
where:
Base-Base interactions energy: -81.834
where: short stacking energy: -62.378
Base-Backbone interact. energy: -0.631
local terms energy: -144.623979
where:
bonds (distance) C4'-P energy: -45.849
bonds (distance) P-C4' energy: -40.082
flat angles C4'-P-C4' energy: -34.716
flat angles P-C4'-P energy: -22.420
tors. eta vs tors. theta energy: -1.558
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -202.698293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.698293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.698293 (E_RNA)
where:
Base-Base interactions energy: -66.503
where: short stacking energy: -47.003
Base-Backbone interact. energy: -2.031
local terms energy: -134.164057
where:
bonds (distance) C4'-P energy: -30.127
bonds (distance) P-C4' energy: -41.273
flat angles C4'-P-C4' energy: -36.519
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: 5.358
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -195.214012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.214012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.214012 (E_RNA)
where:
Base-Base interactions energy: -70.344
where: short stacking energy: -63.485
Base-Backbone interact. energy: -1.581
local terms energy: -123.289197
where:
bonds (distance) C4'-P energy: -27.470
bonds (distance) P-C4' energy: -48.623
flat angles C4'-P-C4' energy: -27.085
flat angles P-C4'-P energy: -15.226
tors. eta vs tors. theta energy: -4.885
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: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -437.995629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.995629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.995629 (E_RNA)
where:
Base-Base interactions energy: -234.312
where: short stacking energy: -174.757
Base-Backbone interact. energy: 0.255
local terms energy: -203.939355
where:
bonds (distance) C4'-P energy: -48.863
bonds (distance) P-C4' energy: -49.955
flat angles C4'-P-C4' energy: -45.647
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -38.918
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -426.354523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.354523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.354523 (E_RNA)
where:
Base-Base interactions energy: -220.729
where: short stacking energy: -154.784
Base-Backbone interact. energy: -1.138
local terms energy: -204.487427
where:
bonds (distance) C4'-P energy: -42.617
bonds (distance) P-C4' energy: -43.956
flat angles C4'-P-C4' energy: -46.078
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -38.910
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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -496.313515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.313515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.313515 (E_RNA)
where:
Base-Base interactions energy: -306.906
where: short stacking energy: -157.734
Base-Backbone interact. energy: 0.052
local terms energy: -189.460069
where:
bonds (distance) C4'-P energy: -35.781
bonds (distance) P-C4' energy: -40.184
flat angles C4'-P-C4' energy: -49.986
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: -36.083
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: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -402.879364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.879364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.879364 (E_RNA)
where:
Base-Base interactions energy: -225.935
where: short stacking energy: -155.985
Base-Backbone interact. energy: -0.520
local terms energy: -176.424542
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -40.551
flat angles C4'-P-C4' energy: -36.337
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: -27.923
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: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -381.855322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.855322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.855322 (E_RNA)
where:
Base-Base interactions energy: -220.848
where: short stacking energy: -131.007
Base-Backbone interact. energy: -0.703
local terms energy: -160.304450
where:
bonds (distance) C4'-P energy: -38.023
bonds (distance) P-C4' energy: -40.253
flat angles C4'-P-C4' energy: -37.774
flat angles P-C4'-P energy: -24.079
tors. eta vs tors. theta energy: -20.176
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: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -383.815405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.815405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.815405 (E_RNA)
where:
Base-Base interactions energy: -215.734
where: short stacking energy: -107.432
Base-Backbone interact. energy: -2.865
local terms energy: -165.216744
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -41.412
flat angles C4'-P-C4' energy: -39.478
flat angles P-C4'-P energy: -27.868
tors. eta vs tors. theta energy: -18.629
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: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -262.574541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.574541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.574541 (E_RNA)
where:
Base-Base interactions energy: -109.113
where: short stacking energy: -83.928
Base-Backbone interact. energy: -0.695
local terms energy: -152.766864
where:
bonds (distance) C4'-P energy: -44.977
bonds (distance) P-C4' energy: -37.555
flat angles C4'-P-C4' energy: -36.948
flat angles P-C4'-P energy: -31.553
tors. eta vs tors. theta energy: -1.733
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -234.111442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.111442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.111442 (E_RNA)
where:
Base-Base interactions energy: -88.180
where: short stacking energy: -84.449
Base-Backbone interact. energy: -0.384
local terms energy: -145.547684
where:
bonds (distance) C4'-P energy: -34.415
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -29.771
flat angles P-C4'-P energy: -27.124
tors. eta vs tors. theta energy: -8.949
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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -222.883815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.883815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.883815 (E_RNA)
where:
Base-Base interactions energy: -78.099
where: short stacking energy: -49.463
Base-Backbone interact. energy: 1.376
local terms energy: -146.161315
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -36.654
flat angles C4'-P-C4' energy: -35.470
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -211.930973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.930973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.930973 (E_RNA)
where:
Base-Base interactions energy: -99.684
where: short stacking energy: -86.815
Base-Backbone interact. energy: 0.934
local terms energy: -113.181263
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -37.286
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -1.819
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -411.767782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.767782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.767782 (E_RNA)
where:
Base-Base interactions energy: -214.984
where: short stacking energy: -157.992
Base-Backbone interact. energy: -0.473
local terms energy: -196.310789
where:
bonds (distance) C4'-P energy: -40.580
bonds (distance) P-C4' energy: -50.440
flat angles C4'-P-C4' energy: -46.802
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -34.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -569.617209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.617209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.617209 (E_RNA)
where:
Base-Base interactions energy: -363.305
where: short stacking energy: -171.015
Base-Backbone interact. energy: 0.399
local terms energy: -206.711365
where:
bonds (distance) C4'-P energy: -48.550
bonds (distance) P-C4' energy: -41.568
flat angles C4'-P-C4' energy: -49.684
flat angles P-C4'-P energy: -28.406
tors. eta vs tors. theta energy: -38.503
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: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -397.458532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.458532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.458532 (E_RNA)
where:
Base-Base interactions energy: -197.483
where: short stacking energy: -158.534
Base-Backbone interact. energy: -0.984
local terms energy: -198.991958
where:
bonds (distance) C4'-P energy: -39.243
bonds (distance) P-C4' energy: -41.608
flat angles C4'-P-C4' energy: -46.218
flat angles P-C4'-P energy: -28.504
tors. eta vs tors. theta energy: -43.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -518.020819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.020819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.020819 (E_RNA)
where:
Base-Base interactions energy: -314.252
where: short stacking energy: -170.270
Base-Backbone interact. energy: -3.586
local terms energy: -200.182024
where:
bonds (distance) C4'-P energy: -44.288
bonds (distance) P-C4' energy: -38.103
flat angles C4'-P-C4' energy: -50.019
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: -37.640
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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -414.801556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.801556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.801556 (E_RNA)
where:
Base-Base interactions energy: -244.865
where: short stacking energy: -127.632
Base-Backbone interact. energy: 1.364
local terms energy: -171.300781
where:
bonds (distance) C4'-P energy: -36.777
bonds (distance) P-C4' energy: -41.358
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -402.156387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.156387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.156387 (E_RNA)
where:
Base-Base interactions energy: -229.502
where: short stacking energy: -128.008
Base-Backbone interact. energy: -0.920
local terms energy: -171.734242
where:
bonds (distance) C4'-P energy: -45.253
bonds (distance) P-C4' energy: -36.983
flat angles C4'-P-C4' energy: -43.583
flat angles P-C4'-P energy: -23.768
tors. eta vs tors. theta energy: -22.147
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: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -230.740452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.740452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.740452 (E_RNA)
where:
Base-Base interactions energy: -96.179
where: short stacking energy: -59.416
Base-Backbone interact. energy: -1.042
local terms energy: -133.519425
where:
bonds (distance) C4'-P energy: -27.668
bonds (distance) P-C4' energy: -42.810
flat angles C4'-P-C4' energy: -40.653
flat angles P-C4'-P energy: -20.975
tors. eta vs tors. theta energy: -1.414
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: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -293.654834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.654834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.654834 (E_RNA)
where:
Base-Base interactions energy: -159.289
where: short stacking energy: -80.026
Base-Backbone interact. energy: 0.810
local terms energy: -135.175842
where:
bonds (distance) C4'-P energy: -34.879
bonds (distance) P-C4' energy: -40.515
flat angles C4'-P-C4' energy: -40.162
flat angles P-C4'-P energy: -21.924
tors. eta vs tors. theta energy: 2.304
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: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -202.746210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.746210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.746210 (E_RNA)
where:
Base-Base interactions energy: -65.994
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.069
local terms energy: -136.683071
where:
bonds (distance) C4'-P energy: -39.566
bonds (distance) P-C4' energy: -37.488
flat angles C4'-P-C4' energy: -39.550
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: -6.203
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: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -208.993633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.993633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.993633 (E_RNA)
where:
Base-Base interactions energy: -91.510
where: short stacking energy: -76.066
Base-Backbone interact. energy: 0.796
local terms energy: -118.280044
where:
bonds (distance) C4'-P energy: -28.862
bonds (distance) P-C4' energy: -37.343
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -24.665
tors. eta vs tors. theta energy: -3.857
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: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -613.417751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.417751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.417751 (E_RNA)
where:
Base-Base interactions energy: -408.661
where: short stacking energy: -188.264
Base-Backbone interact. energy: -1.090
local terms energy: -203.666717
where:
bonds (distance) C4'-P energy: -42.558
bonds (distance) P-C4' energy: -46.415
flat angles C4'-P-C4' energy: -41.293
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -42.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -407.605360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.605360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.605360 (E_RNA)
where:
Base-Base interactions energy: -204.258
where: short stacking energy: -145.487
Base-Backbone interact. energy: -0.781
local terms energy: -202.566171
where:
bonds (distance) C4'-P energy: -42.771
bonds (distance) P-C4' energy: -53.439
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -30.204
tors. eta vs tors. theta energy: -37.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -576.599194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.599194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.599194 (E_RNA)
where:
Base-Base interactions energy: -370.705
where: short stacking energy: -186.221
Base-Backbone interact. energy: 0.719
local terms energy: -206.612688
where:
bonds (distance) C4'-P energy: -38.502
bonds (distance) P-C4' energy: -44.392
flat angles C4'-P-C4' energy: -42.824
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -49.518
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: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -415.769998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.769998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.769998 (E_RNA)
where:
Base-Base interactions energy: -242.234
where: short stacking energy: -127.383
Base-Backbone interact. energy: -0.534
local terms energy: -173.002319
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -45.649
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: -21.599
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: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -409.911589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.911589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.911589 (E_RNA)
where:
Base-Base interactions energy: -259.154
where: short stacking energy: -115.480
Base-Backbone interact. energy: -1.749
local terms energy: -149.008623
where:
bonds (distance) C4'-P energy: -30.384
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -36.634
flat angles P-C4'-P energy: -28.931
tors. eta vs tors. theta energy: -18.914
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: 6
Temperature: 1.150000
Total energy: -410.242478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.242478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.242478 (E_RNA)
where:
Base-Base interactions energy: -242.796
where: short stacking energy: -120.171
Base-Backbone interact. energy: -0.784
local terms energy: -166.661690
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -41.984
flat angles C4'-P-C4' energy: -35.851
flat angles P-C4'-P energy: -33.171
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -308.905043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.905043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.905043 (E_RNA)
where:
Base-Base interactions energy: -169.493
where: short stacking energy: -91.145
Base-Backbone interact. energy: 1.658
local terms energy: -141.069908
where:
bonds (distance) C4'-P energy: -40.630
bonds (distance) P-C4' energy: -35.420
flat angles C4'-P-C4' energy: -31.220
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -10.599
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: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -220.834802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.834802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.834802 (E_RNA)
where:
Base-Base interactions energy: -92.035
where: short stacking energy: -75.759
Base-Backbone interact. energy: -0.680
local terms energy: -128.120130
where:
bonds (distance) C4'-P energy: -32.387
bonds (distance) P-C4' energy: -38.670
flat angles C4'-P-C4' energy: -34.771
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -205.759504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.759504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.759504 (E_RNA)
where:
Base-Base interactions energy: -85.966
where: short stacking energy: -64.717
Base-Backbone interact. energy: -0.396
local terms energy: -119.398218
where:
bonds (distance) C4'-P energy: -31.757
bonds (distance) P-C4' energy: -41.355
flat angles C4'-P-C4' energy: -32.825
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: 0.263
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: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -211.836689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.836689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.836689 (E_RNA)
where:
Base-Base interactions energy: -81.428
where: short stacking energy: -56.047
Base-Backbone interact. energy: -0.113
local terms energy: -130.296336
where:
bonds (distance) C4'-P energy: -36.038
bonds (distance) P-C4' energy: -41.902
flat angles C4'-P-C4' energy: -28.127
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -607.714695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.714695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.714695 (E_RNA)
where:
Base-Base interactions energy: -387.013
where: short stacking energy: -185.155
Base-Backbone interact. energy: -0.712
local terms energy: -219.989949
where:
bonds (distance) C4'-P energy: -49.370
bonds (distance) P-C4' energy: -40.059
flat angles C4'-P-C4' energy: -51.334
flat angles P-C4'-P energy: -36.032
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: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -589.724755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.724755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.724755 (E_RNA)
where:
Base-Base interactions energy: -376.049
where: short stacking energy: -172.873
Base-Backbone interact. energy: -3.416
local terms energy: -210.259348
where:
bonds (distance) C4'-P energy: -39.039
bonds (distance) P-C4' energy: -46.417
flat angles C4'-P-C4' energy: -44.642
flat angles P-C4'-P energy: -35.353
tors. eta vs tors. theta energy: -44.808
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: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -444.764359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.764359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.764359 (E_RNA)
where:
Base-Base interactions energy: -276.364
where: short stacking energy: -137.812
Base-Backbone interact. energy: -1.684
local terms energy: -166.716805
where:
bonds (distance) C4'-P energy: -43.632
bonds (distance) P-C4' energy: -40.615
flat angles C4'-P-C4' energy: -48.078
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -470.267462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.267462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.267462 (E_RNA)
where:
Base-Base interactions energy: -285.546
where: short stacking energy: -122.625
Base-Backbone interact. energy: -2.466
local terms energy: -182.255711
where:
bonds (distance) C4'-P energy: -45.370
bonds (distance) P-C4' energy: -41.253
flat angles C4'-P-C4' energy: -43.444
flat angles P-C4'-P energy: -28.390
tors. eta vs tors. theta energy: -23.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -430.342253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.342253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.342253 (E_RNA)
where:
Base-Base interactions energy: -256.835
where: short stacking energy: -143.722
Base-Backbone interact. energy: -0.976
local terms energy: -172.531723
where:
bonds (distance) C4'-P energy: -41.226
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -42.794
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -26.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -420.505267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.505267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.505267 (E_RNA)
where:
Base-Base interactions energy: -260.365
where: short stacking energy: -124.452
Base-Backbone interact. energy: -0.743
local terms energy: -159.397173
where:
bonds (distance) C4'-P energy: -35.790
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: -24.206
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: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -351.629608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.629608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.629608 (E_RNA)
where:
Base-Base interactions energy: -201.253
where: short stacking energy: -134.047
Base-Backbone interact. energy: -0.461
local terms energy: -149.915729
where:
bonds (distance) C4'-P energy: -27.193
bonds (distance) P-C4' energy: -37.778
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -20.482
tors. eta vs tors. theta energy: -27.383
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: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -221.546890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.546890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.546890 (E_RNA)
where:
Base-Base interactions energy: -80.898
where: short stacking energy: -76.487
Base-Backbone interact. energy: -1.175
local terms energy: -139.473542
where:
bonds (distance) C4'-P energy: -30.019
bonds (distance) P-C4' energy: -41.662
flat angles C4'-P-C4' energy: -33.278
flat angles P-C4'-P energy: -24.540
tors. eta vs tors. theta energy: -9.974
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: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -215.486270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.486270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.486270 (E_RNA)
where:
Base-Base interactions energy: -67.076
where: short stacking energy: -62.346
Base-Backbone interact. energy: -0.673
local terms energy: -147.736567
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -44.785
flat angles C4'-P-C4' energy: -38.485
flat angles P-C4'-P energy: -24.530
tors. eta vs tors. theta energy: -4.281
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: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -191.929828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.929828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.929828 (E_RNA)
where:
Base-Base interactions energy: -77.440
where: short stacking energy: -73.684
Base-Backbone interact. energy: -0.652
local terms energy: -113.837680
where:
bonds (distance) C4'-P energy: -30.317
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -7.346
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: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -618.869453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.869453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.869453 (E_RNA)
where:
Base-Base interactions energy: -402.285
where: short stacking energy: -199.708
Base-Backbone interact. energy: -1.120
local terms energy: -215.464286
where:
bonds (distance) C4'-P energy: -42.738
bonds (distance) P-C4' energy: -51.935
flat angles C4'-P-C4' energy: -43.383
flat angles P-C4'-P energy: -30.621
tors. eta vs tors. theta energy: -46.788
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: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -616.611121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.611121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.611121 (E_RNA)
where:
Base-Base interactions energy: -409.941
where: short stacking energy: -195.441
Base-Backbone interact. energy: 0.230
local terms energy: -206.900462
where:
bonds (distance) C4'-P energy: -43.280
bonds (distance) P-C4' energy: -47.028
flat angles C4'-P-C4' energy: -46.301
flat angles P-C4'-P energy: -31.879
tors. eta vs tors. theta energy: -38.412
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: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -431.004060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.004060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.004060 (E_RNA)
where:
Base-Base interactions energy: -258.590
where: short stacking energy: -140.679
Base-Backbone interact. energy: 0.051
local terms energy: -172.464362
where:
bonds (distance) C4'-P energy: -33.849
bonds (distance) P-C4' energy: -40.715
flat angles C4'-P-C4' energy: -42.224
flat angles P-C4'-P energy: -35.483
tors. eta vs tors. theta energy: -20.194
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: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -474.779450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.779450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.779450 (E_RNA)
where:
Base-Base interactions energy: -288.238
where: short stacking energy: -171.842
Base-Backbone interact. energy: 0.332
local terms energy: -186.872993
where:
bonds (distance) C4'-P energy: -37.069
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -38.048
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -43.682
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: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -442.312093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.312093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.312093 (E_RNA)
where:
Base-Base interactions energy: -272.824
where: short stacking energy: -138.353
Base-Backbone interact. energy: -3.048
local terms energy: -166.440302
where:
bonds (distance) C4'-P energy: -32.883
bonds (distance) P-C4' energy: -44.321
flat angles C4'-P-C4' energy: -38.048
flat angles P-C4'-P energy: -23.830
tors. eta vs tors. theta energy: -27.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -475.162049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.162049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.162049 (E_RNA)
where:
Base-Base interactions energy: -286.944
where: short stacking energy: -153.669
Base-Backbone interact. energy: 0.217
local terms energy: -188.435018
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -35.930
flat angles C4'-P-C4' energy: -42.544
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -36.619
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: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -343.485128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.485128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.485128 (E_RNA)
where:
Base-Base interactions energy: -191.487
where: short stacking energy: -81.683
Base-Backbone interact. energy: 1.432
local terms energy: -153.430442
where:
bonds (distance) C4'-P energy: -40.260
bonds (distance) P-C4' energy: -31.867
flat angles C4'-P-C4' energy: -41.190
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -227.936236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.936236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.936236 (E_RNA)
where:
Base-Base interactions energy: -85.846
where: short stacking energy: -76.944
Base-Backbone interact. energy: -0.507
local terms energy: -141.583345
where:
bonds (distance) C4'-P energy: -36.020
bonds (distance) P-C4' energy: -37.823
flat angles C4'-P-C4' energy: -41.509
flat angles P-C4'-P energy: -23.850
tors. eta vs tors. theta energy: -2.381
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: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -205.920218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.920218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.920218 (E_RNA)
where:
Base-Base interactions energy: -79.872
where: short stacking energy: -73.564
Base-Backbone interact. energy: -1.325
local terms energy: -124.722395
where:
bonds (distance) C4'-P energy: -29.999
bonds (distance) P-C4' energy: -26.958
flat angles C4'-P-C4' energy: -45.053
flat angles P-C4'-P energy: -24.192
tors. eta vs tors. theta energy: 1.480
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: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -244.614036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.614036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.614036 (E_RNA)
where:
Base-Base interactions energy: -130.039
where: short stacking energy: -68.629
Base-Backbone interact. energy: -0.785
local terms energy: -113.789764
where:
bonds (distance) C4'-P energy: -41.388
bonds (distance) P-C4' energy: -31.764
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: 5.130
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: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -609.628229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.628229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.628229 (E_RNA)
where:
Base-Base interactions energy: -395.113
where: short stacking energy: -181.924
Base-Backbone interact. energy: 1.282
local terms energy: -215.797518
where:
bonds (distance) C4'-P energy: -39.668
bonds (distance) P-C4' energy: -47.884
flat angles C4'-P-C4' energy: -46.654
flat angles P-C4'-P energy: -35.412
tors. eta vs tors. theta energy: -46.180
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: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -598.219237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.219237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.219237 (E_RNA)
where:
Base-Base interactions energy: -390.060
where: short stacking energy: -174.902
Base-Backbone interact. energy: -1.080
local terms energy: -207.079229
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -35.289
flat angles C4'-P-C4' energy: -45.578
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -43.922
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: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -342.224162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.224162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.224162 (E_RNA)
where:
Base-Base interactions energy: -168.755
where: short stacking energy: -129.399
Base-Backbone interact. energy: -0.348
local terms energy: -173.121291
where:
bonds (distance) C4'-P energy: -44.286
bonds (distance) P-C4' energy: -36.095
flat angles C4'-P-C4' energy: -47.076
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: -20.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -477.561088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.561088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.561088 (E_RNA)
where:
Base-Base interactions energy: -272.507
where: short stacking energy: -165.510
Base-Backbone interact. energy: -2.565
local terms energy: -202.489446
where:
bonds (distance) C4'-P energy: -42.519
bonds (distance) P-C4' energy: -36.550
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -47.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -469.309607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.309607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.309607 (E_RNA)
where:
Base-Base interactions energy: -297.299
where: short stacking energy: -148.289
Base-Backbone interact. energy: 0.469
local terms energy: -172.479868
where:
bonds (distance) C4'-P energy: -40.068
bonds (distance) P-C4' energy: -45.716
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -29.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -469.970449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.970449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.970449 (E_RNA)
where:
Base-Base interactions energy: -306.810
where: short stacking energy: -142.900
Base-Backbone interact. energy: 1.988
local terms energy: -165.148024
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -38.418
flat angles C4'-P-C4' energy: -39.395
flat angles P-C4'-P energy: -28.140
tors. eta vs tors. theta energy: -29.339
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: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -404.947809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.947809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.947809 (E_RNA)
where:
Base-Base interactions energy: -242.625
where: short stacking energy: -116.462
Base-Backbone interact. energy: -0.612
local terms energy: -161.711202
where:
bonds (distance) C4'-P energy: -36.180
bonds (distance) P-C4' energy: -43.445
flat angles C4'-P-C4' energy: -34.596
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -19.733
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: 10
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -249.372587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.372587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.372587 (E_RNA)
where:
Base-Base interactions energy: -90.949
where: short stacking energy: -87.637
Base-Backbone interact. energy: -0.294
local terms energy: -158.129912
where:
bonds (distance) C4'-P energy: -40.106
bonds (distance) P-C4' energy: -42.119
flat angles C4'-P-C4' energy: -31.417
flat angles P-C4'-P energy: -29.989
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -225.261390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.261390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.261390 (E_RNA)
where:
Base-Base interactions energy: -92.758
where: short stacking energy: -86.133
Base-Backbone interact. energy: 0.152
local terms energy: -132.654963
where:
bonds (distance) C4'-P energy: -33.538
bonds (distance) P-C4' energy: -37.740
flat angles C4'-P-C4' energy: -31.690
flat angles P-C4'-P energy: -20.414
tors. eta vs tors. theta energy: -9.273
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -192.618128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.618128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.618128 (E_RNA)
where:
Base-Base interactions energy: -69.916
where: short stacking energy: -54.404
Base-Backbone interact. energy: -0.494
local terms energy: -122.207968
where:
bonds (distance) C4'-P energy: -36.837
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -31.871
flat angles P-C4'-P energy: -17.599
tors. eta vs tors. theta energy: -1.383
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: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -635.889702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.889702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.889702 (E_RNA)
where:
Base-Base interactions energy: -417.114
where: short stacking energy: -189.414
Base-Backbone interact. energy: -0.599
local terms energy: -218.176996
where:
bonds (distance) C4'-P energy: -46.424
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -41.567
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -51.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -625.681180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.681180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.681180 (E_RNA)
where:
Base-Base interactions energy: -402.632
where: short stacking energy: -206.857
Base-Backbone interact. energy: -0.783
local terms energy: -222.266187
where:
bonds (distance) C4'-P energy: -46.668
bonds (distance) P-C4' energy: -44.824
flat angles C4'-P-C4' energy: -47.178
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -57.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -530.890053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.890053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.890053 (E_RNA)
where:
Base-Base interactions energy: -324.101
where: short stacking energy: -189.916
Base-Backbone interact. energy: -2.478
local terms energy: -204.311167
where:
bonds (distance) C4'-P energy: -40.262
bonds (distance) P-C4' energy: -43.369
flat angles C4'-P-C4' energy: -40.526
flat angles P-C4'-P energy: -30.074
tors. eta vs tors. theta energy: -50.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -356.148132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.148132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.148132 (E_RNA)
where:
Base-Base interactions energy: -183.258
where: short stacking energy: -125.463
Base-Backbone interact. energy: -0.237
local terms energy: -172.652733
where:
bonds (distance) C4'-P energy: -46.924
bonds (distance) P-C4' energy: -45.858
flat angles C4'-P-C4' energy: -39.171
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -463.018553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.018553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.018553 (E_RNA)
where:
Base-Base interactions energy: -283.171
where: short stacking energy: -134.043
Base-Backbone interact. energy: -0.527
local terms energy: -179.320031
where:
bonds (distance) C4'-P energy: -38.630
bonds (distance) P-C4' energy: -44.225
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -33.175
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: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -420.929850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.929850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.929850 (E_RNA)
where:
Base-Base interactions energy: -252.115
where: short stacking energy: -128.115
Base-Backbone interact. energy: 4.419
local terms energy: -173.233795
where:
bonds (distance) C4'-P energy: -34.635
bonds (distance) P-C4' energy: -41.169
flat angles C4'-P-C4' energy: -42.747
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -32.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -365.315872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.315872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.315872 (E_RNA)
where:
Base-Base interactions energy: -202.032
where: short stacking energy: -110.900
Base-Backbone interact. energy: -0.604
local terms energy: -162.680317
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -42.149
flat angles C4'-P-C4' energy: -40.206
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: -21.102
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: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -246.649310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.649310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.649310 (E_RNA)
where:
Base-Base interactions energy: -94.142
where: short stacking energy: -87.652
Base-Backbone interact. energy: -1.084
local terms energy: -151.423167
where:
bonds (distance) C4'-P energy: -36.548
bonds (distance) P-C4' energy: -39.684
flat angles C4'-P-C4' energy: -39.565
flat angles P-C4'-P energy: -23.079
tors. eta vs tors. theta energy: -12.547
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: 10
Temperature: 1.300000
Total energy: -220.125392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.125392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.125392 (E_RNA)
where:
Base-Base interactions energy: -86.096
where: short stacking energy: -59.836
Base-Backbone interact. energy: -0.594
local terms energy: -133.435656
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -37.553
flat angles C4'-P-C4' energy: -30.960
flat angles P-C4'-P energy: -26.312
tors. eta vs tors. theta energy: -0.041
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: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -232.420901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.420901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.420901 (E_RNA)
where:
Base-Base interactions energy: -99.937
where: short stacking energy: -85.275
Base-Backbone interact. energy: -0.426
local terms energy: -132.057523
where:
bonds (distance) C4'-P energy: -37.028
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -40.433
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -8.823
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: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -646.964243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.964243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.964243 (E_RNA)
where:
Base-Base interactions energy: -432.382
where: short stacking energy: -173.875
Base-Backbone interact. energy: 2.733
local terms energy: -217.315092
where:
bonds (distance) C4'-P energy: -51.525
bonds (distance) P-C4' energy: -49.136
flat angles C4'-P-C4' energy: -46.336
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -43.900
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: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -643.890428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.890428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.890428 (E_RNA)
where:
Base-Base interactions energy: -405.520
where: short stacking energy: -203.204
Base-Backbone interact. energy: -0.618
local terms energy: -237.751955
where:
bonds (distance) C4'-P energy: -39.634
bonds (distance) P-C4' energy: -49.571
flat angles C4'-P-C4' energy: -54.039
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: -59.488
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: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -524.262685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.262685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.262685 (E_RNA)
where:
Base-Base interactions energy: -325.508
where: short stacking energy: -177.416
Base-Backbone interact. energy: -1.234
local terms energy: -197.520509
where:
bonds (distance) C4'-P energy: -40.362
bonds (distance) P-C4' energy: -40.557
flat angles C4'-P-C4' energy: -45.214
flat angles P-C4'-P energy: -28.778
tors. eta vs tors. theta energy: -42.610
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: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -515.773073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.773073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.773073 (E_RNA)
where:
Base-Base interactions energy: -325.768
where: short stacking energy: -169.314
Base-Backbone interact. energy: 2.063
local terms energy: -192.067760
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -47.136
flat angles C4'-P-C4' energy: -43.165
flat angles P-C4'-P energy: -23.497
tors. eta vs tors. theta energy: -44.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -326.701128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.701128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.701128 (E_RNA)
where:
Base-Base interactions energy: -182.130
where: short stacking energy: -89.099
Base-Backbone interact. energy: -1.698
local terms energy: -142.873236
where:
bonds (distance) C4'-P energy: -36.185
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -43.214
flat angles P-C4'-P energy: -27.620
tors. eta vs tors. theta energy: -6.627
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: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -400.733421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.733421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.733421 (E_RNA)
where:
Base-Base interactions energy: -232.991
where: short stacking energy: -115.949
Base-Backbone interact. energy: -1.349
local terms energy: -166.393065
where:
bonds (distance) C4'-P energy: -38.629
bonds (distance) P-C4' energy: -43.620
flat angles C4'-P-C4' energy: -33.283
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -18.251
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: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -416.384983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.384983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.384983 (E_RNA)
where:
Base-Base interactions energy: -238.946
where: short stacking energy: -118.067
Base-Backbone interact. energy: -1.143
local terms energy: -176.295833
where:
bonds (distance) C4'-P energy: -32.466
bonds (distance) P-C4' energy: -45.736
flat angles C4'-P-C4' energy: -42.404
flat angles P-C4'-P energy: -32.264
tors. eta vs tors. theta energy: -23.426
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: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -245.825534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.825534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.825534 (E_RNA)
where:
Base-Base interactions energy: -91.087
where: short stacking energy: -78.365
Base-Backbone interact. energy: 0.552
local terms energy: -155.291148
where:
bonds (distance) C4'-P energy: -42.489
bonds (distance) P-C4' energy: -41.673
flat angles C4'-P-C4' energy: -45.142
flat angles P-C4'-P energy: -27.289
tors. eta vs tors. theta energy: 1.303
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: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -209.154554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.154554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.154554 (E_RNA)
where:
Base-Base interactions energy: -78.139
where: short stacking energy: -58.242
Base-Backbone interact. energy: -1.007
local terms energy: -130.007981
where:
bonds (distance) C4'-P energy: -29.463
bonds (distance) P-C4' energy: -42.774
flat angles C4'-P-C4' energy: -38.419
flat angles P-C4'-P energy: -19.861
tors. eta vs tors. theta energy: 0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -204.062746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.062746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.062746 (E_RNA)
where:
Base-Base interactions energy: -94.970
where: short stacking energy: -66.112
Base-Backbone interact. energy: 6.065
local terms energy: -115.158041
where:
bonds (distance) C4'-P energy: -29.203
bonds (distance) P-C4' energy: -36.647
flat angles C4'-P-C4' energy: -41.646
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: 2.084
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: 1, replica: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -649.481757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.481757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.481757 (E_RNA)
where:
Base-Base interactions energy: -443.190
where: short stacking energy: -180.849
Base-Backbone interact. energy: 0.127
local terms energy: -206.418624
where:
bonds (distance) C4'-P energy: -40.330
bonds (distance) P-C4' energy: -39.718
flat angles C4'-P-C4' energy: -41.345
flat angles P-C4'-P energy: -35.226
tors. eta vs tors. theta energy: -49.800
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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -637.515333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.515333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.515333 (E_RNA)
where:
Base-Base interactions energy: -409.210
where: short stacking energy: -201.179
Base-Backbone interact. energy: -1.984
local terms energy: -226.321339
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -45.746
flat angles C4'-P-C4' energy: -47.419
flat angles P-C4'-P energy: -29.123
tors. eta vs tors. theta energy: -55.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -522.191149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.191149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.191149 (E_RNA)
where:
Base-Base interactions energy: -326.348
where: short stacking energy: -173.846
Base-Backbone interact. energy: 2.867
local terms energy: -198.710676
where:
bonds (distance) C4'-P energy: -37.756
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -49.234
flat angles P-C4'-P energy: -24.914
tors. eta vs tors. theta energy: -41.563
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: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -497.145264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.145264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.145264 (E_RNA)
where:
Base-Base interactions energy: -306.205
where: short stacking energy: -161.069
Base-Backbone interact. energy: -1.612
local terms energy: -189.328705
where:
bonds (distance) C4'-P energy: -41.404
bonds (distance) P-C4' energy: -44.515
flat angles C4'-P-C4' energy: -43.184
flat angles P-C4'-P energy: -23.844
tors. eta vs tors. theta energy: -36.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -452.027941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.027941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.027941 (E_RNA)
where:
Base-Base interactions energy: -271.907
where: short stacking energy: -120.770
Base-Backbone interact. energy: -1.074
local terms energy: -179.047203
where:
bonds (distance) C4'-P energy: -39.509
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -40.302
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -31.143
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: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -415.929312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.929312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.929312 (E_RNA)
where:
Base-Base interactions energy: -247.682
where: short stacking energy: -124.375
Base-Backbone interact. energy: 1.231
local terms energy: -169.478134
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -40.839
flat angles C4'-P-C4' energy: -32.126
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -27.216
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: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -428.209898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.209898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.209898 (E_RNA)
where:
Base-Base interactions energy: -269.307
where: short stacking energy: -119.766
Base-Backbone interact. energy: -1.070
local terms energy: -157.833162
where:
bonds (distance) C4'-P energy: -36.888
bonds (distance) P-C4' energy: -33.520
flat angles C4'-P-C4' energy: -37.063
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -19.728
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: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -238.550473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.550473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.550473 (E_RNA)
where:
Base-Base interactions energy: -90.587
where: short stacking energy: -86.181
Base-Backbone interact. energy: 2.578
local terms energy: -150.541475
where:
bonds (distance) C4'-P energy: -34.154
bonds (distance) P-C4' energy: -44.218
flat angles C4'-P-C4' energy: -36.366
flat angles P-C4'-P energy: -25.922
tors. eta vs tors. theta energy: -9.881
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: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -234.959841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.959841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.959841 (E_RNA)
where:
Base-Base interactions energy: -106.692
where: short stacking energy: -73.470
Base-Backbone interact. energy: -1.289
local terms energy: -126.978904
where:
bonds (distance) C4'-P energy: -39.222
bonds (distance) P-C4' energy: -34.850
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: -9.747
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: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -206.498990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.498990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.498990 (E_RNA)
where:
Base-Base interactions energy: -70.700
where: short stacking energy: -57.736
Base-Backbone interact. energy: 0.697
local terms energy: -136.495500
where:
bonds (distance) C4'-P energy: -41.359
bonds (distance) P-C4' energy: -33.491
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -24.005
tors. eta vs tors. theta energy: -1.533
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: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -649.461790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.461790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.461790 (E_RNA)
where:
Base-Base interactions energy: -437.051
where: short stacking energy: -218.113
Base-Backbone interact. energy: -0.500
local terms energy: -211.911404
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -46.657
flat angles C4'-P-C4' energy: -46.934
flat angles P-C4'-P energy: -31.891
tors. eta vs tors. theta energy: -49.241
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: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -641.051301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.051301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.051301 (E_RNA)
where:
Base-Base interactions energy: -437.954
where: short stacking energy: -193.867
Base-Backbone interact. energy: -0.666
local terms energy: -202.430968
where:
bonds (distance) C4'-P energy: -39.183
bonds (distance) P-C4' energy: -34.962
flat angles C4'-P-C4' energy: -45.787
flat angles P-C4'-P energy: -35.535
tors. eta vs tors. theta energy: -46.963
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: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -552.658958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.658958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.658958 (E_RNA)
where:
Base-Base interactions energy: -334.796
where: short stacking energy: -164.415
Base-Backbone interact. energy: -3.026
local terms energy: -214.836890
where:
bonds (distance) C4'-P energy: -41.105
bonds (distance) P-C4' energy: -47.108
flat angles C4'-P-C4' energy: -41.369
flat angles P-C4'-P energy: -37.583
tors. eta vs tors. theta energy: -47.673
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: 5
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -469.777850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.777850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.777850 (E_RNA)
where:
Base-Base interactions energy: -282.841
where: short stacking energy: -146.445
Base-Backbone interact. energy: 0.264
local terms energy: -187.201404
where:
bonds (distance) C4'-P energy: -54.320
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -46.550
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -24.804
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: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -480.490347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.490347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.490347 (E_RNA)
where:
Base-Base interactions energy: -300.194
where: short stacking energy: -129.737
Base-Backbone interact. energy: 1.814
local terms energy: -182.109911
where:
bonds (distance) C4'-P energy: -44.493
bonds (distance) P-C4' energy: -33.449
flat angles C4'-P-C4' energy: -46.035
flat angles P-C4'-P energy: -26.217
tors. eta vs tors. theta energy: -31.916
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: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -506.412303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.412303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.412303 (E_RNA)
where:
Base-Base interactions energy: -341.447
where: short stacking energy: -151.128
Base-Backbone interact. energy: -0.208
local terms energy: -164.756914
where:
bonds (distance) C4'-P energy: -37.288
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -39.309
flat angles P-C4'-P energy: -26.490
tors. eta vs tors. theta energy: -32.361
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: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -366.705041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.705041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.705041 (E_RNA)
where:
Base-Base interactions energy: -221.968
where: short stacking energy: -130.796
Base-Backbone interact. energy: -0.880
local terms energy: -143.856699
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -33.058
flat angles C4'-P-C4' energy: -30.936
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: -13.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -215.523952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.523952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.523952 (E_RNA)
where:
Base-Base interactions energy: -99.292
where: short stacking energy: -91.692
Base-Backbone interact. energy: 0.066
local terms energy: -116.298070
where:
bonds (distance) C4'-P energy: -39.510
bonds (distance) P-C4' energy: -33.042
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -1.069
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: 13
Temperature: 1.300000
Total energy: -216.463363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.463363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.463363 (E_RNA)
where:
Base-Base interactions energy: -85.672
where: short stacking energy: -84.072
Base-Backbone interact. energy: -0.271
local terms energy: -130.520276
where:
bonds (distance) C4'-P energy: -36.068
bonds (distance) P-C4' energy: -35.251
flat angles C4'-P-C4' energy: -30.030
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -10.568
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: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -202.767646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.767646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.767646 (E_RNA)
where:
Base-Base interactions energy: -76.378
where: short stacking energy: -73.733
Base-Backbone interact. energy: -1.318
local terms energy: -125.072312
where:
bonds (distance) C4'-P energy: -38.768
bonds (distance) P-C4' energy: -38.359
flat angles C4'-P-C4' energy: -30.366
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: 4.906
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: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -679.544531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.544531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.544531 (E_RNA)
where:
Base-Base interactions energy: -457.853
where: short stacking energy: -212.454
Base-Backbone interact. energy: -1.756
local terms energy: -219.936071
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -40.784
flat angles P-C4'-P energy: -32.269
tors. eta vs tors. theta energy: -53.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -641.593014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.593014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.593014 (E_RNA)
where:
Base-Base interactions energy: -433.436
where: short stacking energy: -199.801
Base-Backbone interact. energy: 5.314
local terms energy: -213.470547
where:
bonds (distance) C4'-P energy: -36.991
bonds (distance) P-C4' energy: -43.504
flat angles C4'-P-C4' energy: -52.727
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -52.849
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: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -547.935438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.935438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.935438 (E_RNA)
where:
Base-Base interactions energy: -331.304
where: short stacking energy: -178.416
Base-Backbone interact. energy: 1.458
local terms energy: -218.089453
where:
bonds (distance) C4'-P energy: -37.783
bonds (distance) P-C4' energy: -44.658
flat angles C4'-P-C4' energy: -48.878
flat angles P-C4'-P energy: -35.403
tors. eta vs tors. theta energy: -51.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -490.587050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.587050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.587050 (E_RNA)
where:
Base-Base interactions energy: -294.641
where: short stacking energy: -146.320
Base-Backbone interact. energy: -2.413
local terms energy: -193.533382
where:
bonds (distance) C4'-P energy: -40.385
bonds (distance) P-C4' energy: -45.009
flat angles C4'-P-C4' energy: -46.031
flat angles P-C4'-P energy: -26.593
tors. eta vs tors. theta energy: -35.516
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: 6
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -544.631035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.631035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.631035 (E_RNA)
where:
Base-Base interactions energy: -371.949
where: short stacking energy: -152.762
Base-Backbone interact. energy: 0.184
local terms energy: -172.866670
where:
bonds (distance) C4'-P energy: -31.660
bonds (distance) P-C4' energy: -36.187
flat angles C4'-P-C4' energy: -39.693
flat angles P-C4'-P energy: -32.407
tors. eta vs tors. theta energy: -32.920
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: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -429.058819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.058819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.058819 (E_RNA)
where:
Base-Base interactions energy: -288.285
where: short stacking energy: -134.683
Base-Backbone interact. energy: -2.728
local terms energy: -138.045962
where:
bonds (distance) C4'-P energy: -28.239
bonds (distance) P-C4' energy: -36.603
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -27.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -337.070080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.070080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.070080 (E_RNA)
where:
Base-Base interactions energy: -193.065
where: short stacking energy: -116.564
Base-Backbone interact. energy: 0.151
local terms energy: -144.156442
where:
bonds (distance) C4'-P energy: -39.156
bonds (distance) P-C4' energy: -29.047
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -218.776680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.776680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.776680 (E_RNA)
where:
Base-Base interactions energy: -81.217
where: short stacking energy: -73.593
Base-Backbone interact. energy: 1.080
local terms energy: -138.638838
where:
bonds (distance) C4'-P energy: -36.118
bonds (distance) P-C4' energy: -39.296
flat angles C4'-P-C4' energy: -37.349
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -10.188
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: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -204.175865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.175865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.175865 (E_RNA)
where:
Base-Base interactions energy: -64.288
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.320
local terms energy: -139.567830
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -38.400
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -19.520
tors. eta vs tors. theta energy: -8.575
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: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -197.965673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.965673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.965673 (E_RNA)
where:
Base-Base interactions energy: -75.796
where: short stacking energy: -68.128
Base-Backbone interact. energy: -2.666
local terms energy: -119.504149
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -37.204
flat angles C4'-P-C4' energy: -25.851
flat angles P-C4'-P energy: -20.506
tors. eta vs tors. theta energy: -2.270
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: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -683.568418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.568418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.568418 (E_RNA)
where:
Base-Base interactions energy: -455.362
where: short stacking energy: -191.848
Base-Backbone interact. energy: -1.998
local terms energy: -226.208458
where:
bonds (distance) C4'-P energy: -37.720
bonds (distance) P-C4' energy: -48.043
flat angles C4'-P-C4' energy: -52.012
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -54.494
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: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -618.875749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.875749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.875749 (E_RNA)
where:
Base-Base interactions energy: -410.398
where: short stacking energy: -194.926
Base-Backbone interact. energy: -0.707
local terms energy: -207.770561
where:
bonds (distance) C4'-P energy: -37.591
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -45.555
flat angles P-C4'-P energy: -32.198
tors. eta vs tors. theta energy: -51.095
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: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -558.915366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.915366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.915366 (E_RNA)
where:
Base-Base interactions energy: -358.618
where: short stacking energy: -171.889
Base-Backbone interact. energy: -0.439
local terms energy: -199.859051
where:
bonds (distance) C4'-P energy: -32.365
bonds (distance) P-C4' energy: -43.294
flat angles C4'-P-C4' energy: -44.111
flat angles P-C4'-P energy: -32.124
tors. eta vs tors. theta energy: -47.965
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: 6
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -612.049713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.049713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.049713 (E_RNA)
where:
Base-Base interactions energy: -405.633
where: short stacking energy: -184.537
Base-Backbone interact. energy: -0.779
local terms energy: -205.637975
where:
bonds (distance) C4'-P energy: -39.608
bonds (distance) P-C4' energy: -45.868
flat angles C4'-P-C4' energy: -42.759
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -50.728
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: 5, replica: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -467.619805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.619805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.619805 (E_RNA)
where:
Base-Base interactions energy: -279.446
where: short stacking energy: -150.334
Base-Backbone interact. energy: -2.553
local terms energy: -185.619932
where:
bonds (distance) C4'-P energy: -33.722
bonds (distance) P-C4' energy: -44.175
flat angles C4'-P-C4' energy: -40.297
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -41.739
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: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -408.502805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.502805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.502805 (E_RNA)
where:
Base-Base interactions energy: -251.024
where: short stacking energy: -138.513
Base-Backbone interact. energy: -0.563
local terms energy: -156.915274
where:
bonds (distance) C4'-P energy: -29.423
bonds (distance) P-C4' energy: -34.958
flat angles C4'-P-C4' energy: -40.068
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: -23.813
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: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -348.691953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.691953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.691953 (E_RNA)
where:
Base-Base interactions energy: -194.634
where: short stacking energy: -110.224
Base-Backbone interact. energy: -0.398
local terms energy: -153.660149
where:
bonds (distance) C4'-P energy: -42.346
bonds (distance) P-C4' energy: -41.831
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -18.958
tors. eta vs tors. theta energy: -18.521
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: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -223.027449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.027449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.027449 (E_RNA)
where:
Base-Base interactions energy: -110.889
where: short stacking energy: -96.450
Base-Backbone interact. energy: 0.864
local terms energy: -113.002359
where:
bonds (distance) C4'-P energy: -29.259
bonds (distance) P-C4' energy: -25.578
flat angles C4'-P-C4' energy: -31.067
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -9.083
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: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -219.651725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.651725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.651725 (E_RNA)
where:
Base-Base interactions energy: -83.626
where: short stacking energy: -73.854
Base-Backbone interact. energy: -0.407
local terms energy: -135.619014
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -40.725
flat angles C4'-P-C4' energy: -32.570
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -204.382289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.382289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.382289 (E_RNA)
where:
Base-Base interactions energy: -86.903
where: short stacking energy: -68.854
Base-Backbone interact. energy: -0.652
local terms energy: -116.827074
where:
bonds (distance) C4'-P energy: -28.794
bonds (distance) P-C4' energy: -34.287
flat angles C4'-P-C4' energy: -30.423
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: -1.084
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: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -678.678422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.678422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.678422 (E_RNA)
where:
Base-Base interactions energy: -444.619
where: short stacking energy: -199.344
Base-Backbone interact. energy: -1.414
local terms energy: -232.645376
where:
bonds (distance) C4'-P energy: -46.819
bonds (distance) P-C4' energy: -46.354
flat angles C4'-P-C4' energy: -48.899
flat angles P-C4'-P energy: -35.882
tors. eta vs tors. theta energy: -54.691
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: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -647.059175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.059175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.059175 (E_RNA)
where:
Base-Base interactions energy: -424.563
where: short stacking energy: -199.239
Base-Backbone interact. energy: 1.905
local terms energy: -224.401134
where:
bonds (distance) C4'-P energy: -36.069
bonds (distance) P-C4' energy: -50.795
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -32.535
tors. eta vs tors. theta energy: -55.627
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: 3, replica: 6
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -648.347438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.347438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.347438 (E_RNA)
where:
Base-Base interactions energy: -429.666
where: short stacking energy: -190.935
Base-Backbone interact. energy: -0.260
local terms energy: -218.421677
where:
bonds (distance) C4'-P energy: -41.496
bonds (distance) P-C4' energy: -42.798
flat angles C4'-P-C4' energy: -49.899
flat angles P-C4'-P energy: -30.299
tors. eta vs tors. theta energy: -53.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -541.977193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.977193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.977193 (E_RNA)
where:
Base-Base interactions energy: -343.259
where: short stacking energy: -153.497
Base-Backbone interact. energy: -2.983
local terms energy: -195.735068
where:
bonds (distance) C4'-P energy: -37.096
bonds (distance) P-C4' energy: -42.435
flat angles C4'-P-C4' energy: -43.295
flat angles P-C4'-P energy: -32.069
tors. eta vs tors. theta energy: -40.840
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: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -492.815270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.815270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.815270 (E_RNA)
where:
Base-Base interactions energy: -292.863
where: short stacking energy: -147.235
Base-Backbone interact. energy: -0.928
local terms energy: -199.024277
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -43.326
flat angles C4'-P-C4' energy: -41.025
flat angles P-C4'-P energy: -32.077
tors. eta vs tors. theta energy: -39.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -409.243724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.243724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.243724 (E_RNA)
where:
Base-Base interactions energy: -262.671
where: short stacking energy: -131.757
Base-Backbone interact. energy: 3.546
local terms energy: -150.118626
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -35.915
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -20.248
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: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -372.261893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.261893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.261893 (E_RNA)
where:
Base-Base interactions energy: -196.358
where: short stacking energy: -113.188
Base-Backbone interact. energy: -0.448
local terms energy: -175.456034
where:
bonds (distance) C4'-P energy: -42.734
bonds (distance) P-C4' energy: -44.023
flat angles C4'-P-C4' energy: -43.804
flat angles P-C4'-P energy: -25.645
tors. eta vs tors. theta energy: -19.250
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: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -260.955133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.955133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.955133 (E_RNA)
where:
Base-Base interactions energy: -127.703
where: short stacking energy: -96.837
Base-Backbone interact. energy: -1.905
local terms energy: -131.347084
where:
bonds (distance) C4'-P energy: -39.288
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -30.345
flat angles P-C4'-P energy: -21.297
tors. eta vs tors. theta energy: -12.375
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: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -241.958538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.958538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.958538 (E_RNA)
where:
Base-Base interactions energy: -85.349
where: short stacking energy: -82.027
Base-Backbone interact. energy: -0.519
local terms energy: -156.090458
where:
bonds (distance) C4'-P energy: -40.806
bonds (distance) P-C4' energy: -42.365
flat angles C4'-P-C4' energy: -31.407
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -207.944217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.944217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.944217 (E_RNA)
where:
Base-Base interactions energy: -75.445
where: short stacking energy: -45.717
Base-Backbone interact. energy: -1.086
local terms energy: -131.412925
where:
bonds (distance) C4'-P energy: -43.959
bonds (distance) P-C4' energy: -36.738
flat angles C4'-P-C4' energy: -34.877
flat angles P-C4'-P energy: -25.824
tors. eta vs tors. theta energy: 9.984
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: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -682.904229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.904229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.904229 (E_RNA)
where:
Base-Base interactions energy: -471.464
where: short stacking energy: -207.694
Base-Backbone interact. energy: -2.034
local terms energy: -209.405792
where:
bonds (distance) C4'-P energy: -37.520
bonds (distance) P-C4' energy: -43.130
flat angles C4'-P-C4' energy: -48.734
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: -53.667
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: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -665.461262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.461262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.461262 (E_RNA)
where:
Base-Base interactions energy: -447.995
where: short stacking energy: -202.034
Base-Backbone interact. energy: -0.168
local terms energy: -217.298014
where:
bonds (distance) C4'-P energy: -39.674
bonds (distance) P-C4' energy: -43.191
flat angles C4'-P-C4' energy: -51.843
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -51.146
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: 6
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -643.430392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.430392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.430392 (E_RNA)
where:
Base-Base interactions energy: -437.182
where: short stacking energy: -204.841
Base-Backbone interact. energy: -0.325
local terms energy: -205.923739
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -37.228
flat angles C4'-P-C4' energy: -48.749
flat angles P-C4'-P energy: -32.782
tors. eta vs tors. theta energy: -54.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -567.210564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.210564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.210564 (E_RNA)
where:
Base-Base interactions energy: -362.922
where: short stacking energy: -177.047
Base-Backbone interact. energy: -0.010
local terms energy: -204.279163
where:
bonds (distance) C4'-P energy: -41.083
bonds (distance) P-C4' energy: -42.603
flat angles C4'-P-C4' energy: -47.637
flat angles P-C4'-P energy: -26.165
tors. eta vs tors. theta energy: -46.791
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: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -517.157681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.157681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.157681 (E_RNA)
where:
Base-Base interactions energy: -326.318
where: short stacking energy: -149.431
Base-Backbone interact. energy: -1.537
local terms energy: -189.302426
where:
bonds (distance) C4'-P energy: -35.895
bonds (distance) P-C4' energy: -41.448
flat angles C4'-P-C4' energy: -48.218
flat angles P-C4'-P energy: -25.791
tors. eta vs tors. theta energy: -37.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -440.381609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.381609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.381609 (E_RNA)
where:
Base-Base interactions energy: -273.927
where: short stacking energy: -122.109
Base-Backbone interact. energy: -0.917
local terms energy: -165.537385
where:
bonds (distance) C4'-P energy: -25.324
bonds (distance) P-C4' energy: -46.279
flat angles C4'-P-C4' energy: -42.024
flat angles P-C4'-P energy: -25.864
tors. eta vs tors. theta energy: -26.046
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: 17
Temperature: 1.200000
Total energy: -366.242592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.242592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.242592 (E_RNA)
where:
Base-Base interactions energy: -210.644
where: short stacking energy: -132.236
Base-Backbone interact. energy: 2.011
local terms energy: -157.610296
where:
bonds (distance) C4'-P energy: -37.093
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -39.421
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -22.715
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: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -245.821038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.821038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.821038 (E_RNA)
where:
Base-Base interactions energy: -96.609
where: short stacking energy: -74.988
Base-Backbone interact. energy: 0.183
local terms energy: -149.395251
where:
bonds (distance) C4'-P energy: -41.529
bonds (distance) P-C4' energy: -39.008
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -34.831
tors. eta vs tors. theta energy: -8.636
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: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -252.655187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.655187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.655187 (E_RNA)
where:
Base-Base interactions energy: -119.768
where: short stacking energy: -79.320
Base-Backbone interact. energy: 3.571
local terms energy: -136.457708
where:
bonds (distance) C4'-P energy: -30.112
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -29.282
tors. eta vs tors. theta energy: -8.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -187.382670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.382670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.382670 (E_RNA)
where:
Base-Base interactions energy: -46.188
where: short stacking energy: -32.403
Base-Backbone interact. energy: -1.189
local terms energy: -140.005751
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -40.426
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -2.853
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: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -681.560162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.560162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.560162 (E_RNA)
where:
Base-Base interactions energy: -457.472
where: short stacking energy: -193.038
Base-Backbone interact. energy: -1.239
local terms energy: -222.849719
where:
bonds (distance) C4'-P energy: -45.019
bonds (distance) P-C4' energy: -50.532
flat angles C4'-P-C4' energy: -49.103
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -51.168
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: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -678.699742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.699742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.699742 (E_RNA)
where:
Base-Base interactions energy: -467.337
where: short stacking energy: -205.676
Base-Backbone interact. energy: -0.326
local terms energy: -211.036623
where:
bonds (distance) C4'-P energy: -38.279
bonds (distance) P-C4' energy: -40.593
flat angles C4'-P-C4' energy: -43.370
flat angles P-C4'-P energy: -37.153
tors. eta vs tors. theta energy: -51.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -643.879927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.879927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.879927 (E_RNA)
where:
Base-Base interactions energy: -411.121
where: short stacking energy: -193.891
Base-Backbone interact. energy: -0.733
local terms energy: -232.026160
where:
bonds (distance) C4'-P energy: -39.977
bonds (distance) P-C4' energy: -44.487
flat angles C4'-P-C4' energy: -47.976
flat angles P-C4'-P energy: -36.849
tors. eta vs tors. theta energy: -62.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -561.772515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.772515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.772515 (E_RNA)
where:
Base-Base interactions energy: -360.053
where: short stacking energy: -173.240
Base-Backbone interact. energy: -1.297
local terms energy: -200.423182
where:
bonds (distance) C4'-P energy: -42.232
bonds (distance) P-C4' energy: -36.629
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -41.898
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: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -524.693509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.693509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.693509 (E_RNA)
where:
Base-Base interactions energy: -321.132
where: short stacking energy: -149.945
Base-Backbone interact. energy: -0.452
local terms energy: -203.109745
where:
bonds (distance) C4'-P energy: -39.438
bonds (distance) P-C4' energy: -45.340
flat angles C4'-P-C4' energy: -49.484
flat angles P-C4'-P energy: -23.027
tors. eta vs tors. theta energy: -45.821
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: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -404.663486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.663486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.663486 (E_RNA)
where:
Base-Base interactions energy: -237.289
where: short stacking energy: -116.612
Base-Backbone interact. energy: 1.419
local terms energy: -168.793370
where:
bonds (distance) C4'-P energy: -39.788
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -43.182
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -28.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -386.610063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.610063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.610063 (E_RNA)
where:
Base-Base interactions energy: -222.275
where: short stacking energy: -119.794
Base-Backbone interact. energy: -0.670
local terms energy: -163.665890
where:
bonds (distance) C4'-P energy: -43.264
bonds (distance) P-C4' energy: -38.643
flat angles C4'-P-C4' energy: -44.202
flat angles P-C4'-P energy: -21.323
tors. eta vs tors. theta energy: -16.234
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: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -248.769092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.769092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.769092 (E_RNA)
where:
Base-Base interactions energy: -138.365
where: short stacking energy: -72.885
Base-Backbone interact. energy: -1.292
local terms energy: -109.112012
where:
bonds (distance) C4'-P energy: -25.702
bonds (distance) P-C4' energy: -37.914
flat angles C4'-P-C4' energy: -35.716
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: 10.757
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: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -236.468397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.468397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.468397 (E_RNA)
where:
Base-Base interactions energy: -92.619
where: short stacking energy: -90.360
Base-Backbone interact. energy: -0.112
local terms energy: -143.737193
where:
bonds (distance) C4'-P energy: -33.379
bonds (distance) P-C4' energy: -41.566
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -26.967
tors. eta vs tors. theta energy: -8.832
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: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -192.515268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.515268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.515268 (E_RNA)
where:
Base-Base interactions energy: -55.363
where: short stacking energy: -36.044
Base-Backbone interact. energy: -1.908
local terms energy: -135.244284
where:
bonds (distance) C4'-P energy: -42.179
bonds (distance) P-C4' energy: -43.388
flat angles C4'-P-C4' energy: -31.156
flat angles P-C4'-P energy: -28.675
tors. eta vs tors. theta energy: 10.153
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: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -679.199181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.199181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.199181 (E_RNA)
where:
Base-Base interactions energy: -462.068
where: short stacking energy: -197.228
Base-Backbone interact. energy: -0.498
local terms energy: -216.633237
where:
bonds (distance) C4'-P energy: -43.447
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -47.806
flat angles P-C4'-P energy: -29.820
tors. eta vs tors. theta energy: -50.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -655.521235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.521235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.521235 (E_RNA)
where:
Base-Base interactions energy: -428.115
where: short stacking energy: -210.622
Base-Backbone interact. energy: -0.142
local terms energy: -227.264917
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -48.807
flat angles C4'-P-C4' energy: -45.090
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -59.904
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: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -666.885839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.885839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.885839 (E_RNA)
where:
Base-Base interactions energy: -462.818
where: short stacking energy: -202.693
Base-Backbone interact. energy: 2.252
local terms energy: -206.319559
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -43.556
flat angles C4'-P-C4' energy: -46.204
flat angles P-C4'-P energy: -25.066
tors. eta vs tors. theta energy: -48.456
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: 19
Temperature: 1.050000
Total energy: -554.313425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.313425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.313425 (E_RNA)
where:
Base-Base interactions energy: -359.531
where: short stacking energy: -145.254
Base-Backbone interact. energy: -0.654
local terms energy: -194.128939
where:
bonds (distance) C4'-P energy: -30.793
bonds (distance) P-C4' energy: -50.245
flat angles C4'-P-C4' energy: -49.714
flat angles P-C4'-P energy: -20.800
tors. eta vs tors. theta energy: -42.577
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: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -516.431976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.431976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.431976 (E_RNA)
where:
Base-Base interactions energy: -344.034
where: short stacking energy: -157.533
Base-Backbone interact. energy: 0.682
local terms energy: -173.079498
where:
bonds (distance) C4'-P energy: -38.513
bonds (distance) P-C4' energy: -33.262
flat angles C4'-P-C4' energy: -46.614
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -30.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -450.111068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.111068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.111068 (E_RNA)
where:
Base-Base interactions energy: -288.776
where: short stacking energy: -135.987
Base-Backbone interact. energy: 1.352
local terms energy: -162.687134
where:
bonds (distance) C4'-P energy: -33.459
bonds (distance) P-C4' energy: -41.470
flat angles C4'-P-C4' energy: -38.183
flat angles P-C4'-P energy: -22.706
tors. eta vs tors. theta energy: -26.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -378.258030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.258030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.258030 (E_RNA)
where:
Base-Base interactions energy: -229.110
where: short stacking energy: -119.415
Base-Backbone interact. energy: -1.591
local terms energy: -147.557318
where:
bonds (distance) C4'-P energy: -34.775
bonds (distance) P-C4' energy: -36.389
flat angles C4'-P-C4' energy: -42.748
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -20.092
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: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -277.406894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.406894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.406894 (E_RNA)
where:
Base-Base interactions energy: -127.190
where: short stacking energy: -77.677
Base-Backbone interact. energy: -0.035
local terms energy: -150.182522
where:
bonds (distance) C4'-P energy: -44.019
bonds (distance) P-C4' energy: -36.899
flat angles C4'-P-C4' energy: -33.827
flat angles P-C4'-P energy: -28.079
tors. eta vs tors. theta energy: -7.359
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: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -209.169042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.169042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.169042 (E_RNA)
where:
Base-Base interactions energy: -82.789
where: short stacking energy: -72.130
Base-Backbone interact. energy: -0.500
local terms energy: -125.880341
where:
bonds (distance) C4'-P energy: -39.992
bonds (distance) P-C4' energy: -36.738
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -1.487
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: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -212.130834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.130834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.130834 (E_RNA)
where:
Base-Base interactions energy: -88.970
where: short stacking energy: -72.373
Base-Backbone interact. energy: -0.653
local terms energy: -122.508322
where:
bonds (distance) C4'-P energy: -30.649
bonds (distance) P-C4' energy: -36.030
flat angles C4'-P-C4' energy: -35.091
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -10.694
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: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -697.454379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.454379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.454379 (E_RNA)
where:
Base-Base interactions energy: -468.880
where: short stacking energy: -213.583
Base-Backbone interact. energy: -1.761
local terms energy: -226.813301
where:
bonds (distance) C4'-P energy: -38.027
bonds (distance) P-C4' energy: -46.967
flat angles C4'-P-C4' energy: -48.867
flat angles P-C4'-P energy: -30.986
tors. eta vs tors. theta energy: -61.967
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: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -639.769646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.769646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.769646 (E_RNA)
where:
Base-Base interactions energy: -421.690
where: short stacking energy: -201.627
Base-Backbone interact. energy: 0.537
local terms energy: -218.616324
where:
bonds (distance) C4'-P energy: -40.389
bonds (distance) P-C4' energy: -49.283
flat angles C4'-P-C4' energy: -44.675
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -49.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -660.254494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.254494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.254494 (E_RNA)
where:
Base-Base interactions energy: -449.762
where: short stacking energy: -189.966
Base-Backbone interact. energy: 4.259
local terms energy: -214.751984
where:
bonds (distance) C4'-P energy: -40.291
bonds (distance) P-C4' energy: -48.618
flat angles C4'-P-C4' energy: -51.541
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: -42.119
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: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -564.563454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.563454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.563454 (E_RNA)
where:
Base-Base interactions energy: -379.735
where: short stacking energy: -166.163
Base-Backbone interact. energy: 3.415
local terms energy: -188.243354
where:
bonds (distance) C4'-P energy: -37.598
bonds (distance) P-C4' energy: -35.803
flat angles C4'-P-C4' energy: -45.882
flat angles P-C4'-P energy: -25.851
tors. eta vs tors. theta energy: -43.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -448.685490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.685490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.685490 (E_RNA)
where:
Base-Base interactions energy: -277.954
where: short stacking energy: -135.073
Base-Backbone interact. energy: 0.767
local terms energy: -171.498926
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -42.777
flat angles C4'-P-C4' energy: -44.634
flat angles P-C4'-P energy: -21.003
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -507.008056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.008056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.008056 (E_RNA)
where:
Base-Base interactions energy: -322.168
where: short stacking energy: -151.921
Base-Backbone interact. energy: -1.845
local terms energy: -182.995253
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -35.215
flat angles C4'-P-C4' energy: -43.252
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -33.766
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: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -300.914915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.914915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.914915 (E_RNA)
where:
Base-Base interactions energy: -149.344
where: short stacking energy: -93.642
Base-Backbone interact. energy: 2.480
local terms energy: -154.050880
where:
bonds (distance) C4'-P energy: -41.136
bonds (distance) P-C4' energy: -39.068
flat angles C4'-P-C4' energy: -34.468
flat angles P-C4'-P energy: -26.739
tors. eta vs tors. theta energy: -12.640
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: 20
Temperature: 1.250000
Total energy: -319.748610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.748610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.748610 (E_RNA)
where:
Base-Base interactions energy: -170.149
where: short stacking energy: -85.582
Base-Backbone interact. energy: -1.065
local terms energy: -148.534754
where:
bonds (distance) C4'-P energy: -37.018
bonds (distance) P-C4' energy: -44.140
flat angles C4'-P-C4' energy: -35.983
flat angles P-C4'-P energy: -18.193
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -224.135373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.135373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.135373 (E_RNA)
where:
Base-Base interactions energy: -94.837
where: short stacking energy: -76.698
Base-Backbone interact. energy: 0.261
local terms energy: -129.559980
where:
bonds (distance) C4'-P energy: -34.359
bonds (distance) P-C4' energy: -38.805
flat angles C4'-P-C4' energy: -26.441
flat angles P-C4'-P energy: -19.557
tors. eta vs tors. theta energy: -10.397
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -194.494088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.494088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.494088 (E_RNA)
where:
Base-Base interactions energy: -70.015
where: short stacking energy: -49.839
Base-Backbone interact. energy: -0.379
local terms energy: -124.099533
where:
bonds (distance) C4'-P energy: -33.530
bonds (distance) P-C4' energy: -41.131
flat angles C4'-P-C4' energy: -32.381
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: 2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -688.182229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.182229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.182229 (E_RNA)
where:
Base-Base interactions energy: -468.653
where: short stacking energy: -206.649
Base-Backbone interact. energy: -1.245
local terms energy: -218.284365
where:
bonds (distance) C4'-P energy: -37.013
bonds (distance) P-C4' energy: -43.697
flat angles C4'-P-C4' energy: -47.070
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -56.047
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: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -659.741515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.741515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.741515 (E_RNA)
where:
Base-Base interactions energy: -451.174
where: short stacking energy: -197.863
Base-Backbone interact. energy: 1.022
local terms energy: -209.589418
where:
bonds (distance) C4'-P energy: -37.837
bonds (distance) P-C4' energy: -41.536
flat angles C4'-P-C4' energy: -47.727
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -44.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -644.188445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.188445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.188445 (E_RNA)
where:
Base-Base interactions energy: -414.965
where: short stacking energy: -194.921
Base-Backbone interact. energy: -0.508
local terms energy: -228.715656
where:
bonds (distance) C4'-P energy: -47.465
bonds (distance) P-C4' energy: -49.329
flat angles C4'-P-C4' energy: -47.968
flat angles P-C4'-P energy: -24.870
tors. eta vs tors. theta energy: -59.083
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: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -558.527066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.527066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.527066 (E_RNA)
where:
Base-Base interactions energy: -364.612
where: short stacking energy: -163.732
Base-Backbone interact. energy: -1.717
local terms energy: -192.198775
where:
bonds (distance) C4'-P energy: -43.400
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -41.270
flat angles P-C4'-P energy: -32.982
tors. eta vs tors. theta energy: -42.758
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: 21
Temperature: 1.100000
Total energy: -515.116031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.116031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.116031 (E_RNA)
where:
Base-Base interactions energy: -348.180
where: short stacking energy: -160.023
Base-Backbone interact. energy: 3.785
local terms energy: -170.721231
where:
bonds (distance) C4'-P energy: -38.765
bonds (distance) P-C4' energy: -33.373
flat angles C4'-P-C4' energy: -39.788
flat angles P-C4'-P energy: -29.251
tors. eta vs tors. theta energy: -29.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -513.755696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.755696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.755696 (E_RNA)
where:
Base-Base interactions energy: -332.390
where: short stacking energy: -149.478
Base-Backbone interact. energy: -0.842
local terms energy: -180.524171
where:
bonds (distance) C4'-P energy: -36.583
bonds (distance) P-C4' energy: -43.887
flat angles C4'-P-C4' energy: -32.911
flat angles P-C4'-P energy: -29.764
tors. eta vs tors. theta energy: -37.378
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: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -329.290536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.290536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.290536 (E_RNA)
where:
Base-Base interactions energy: -186.602
where: short stacking energy: -108.435
Base-Backbone interact. energy: -0.881
local terms energy: -141.807791
where:
bonds (distance) C4'-P energy: -33.551
bonds (distance) P-C4' energy: -42.776
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -17.360
tors. eta vs tors. theta energy: -13.560
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: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -332.224463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.224463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.224463 (E_RNA)
where:
Base-Base interactions energy: -171.915
where: short stacking energy: -93.629
Base-Backbone interact. energy: -0.667
local terms energy: -159.641779
where:
bonds (distance) C4'-P energy: -46.882
bonds (distance) P-C4' energy: -42.787
flat angles C4'-P-C4' energy: -33.141
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -13.176
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: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -219.177366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.177366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.177366 (E_RNA)
where:
Base-Base interactions energy: -80.617
where: short stacking energy: -79.679
Base-Backbone interact. energy: -0.988
local terms energy: -137.572093
where:
bonds (distance) C4'-P energy: -35.239
bonds (distance) P-C4' energy: -44.555
flat angles C4'-P-C4' energy: -26.471
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -10.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -212.766677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.766677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.766677 (E_RNA)
where:
Base-Base interactions energy: -85.336
where: short stacking energy: -80.257
Base-Backbone interact. energy: -0.267
local terms energy: -127.164015
where:
bonds (distance) C4'-P energy: -36.665
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -33.041
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: 2.600
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: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -708.838846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.838846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.838846 (E_RNA)
where:
Base-Base interactions energy: -485.135
where: short stacking energy: -205.655
Base-Backbone interact. energy: -2.268
local terms energy: -221.435990
where:
bonds (distance) C4'-P energy: -40.969
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -47.764
flat angles P-C4'-P energy: -27.239
tors. eta vs tors. theta energy: -60.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -649.416785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.416785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.416785 (E_RNA)
where:
Base-Base interactions energy: -444.048
where: short stacking energy: -191.052
Base-Backbone interact. energy: -0.346
local terms energy: -205.022921
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -41.667
flat angles C4'-P-C4' energy: -50.525
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -44.508
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: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -657.227335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.227335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.227335 (E_RNA)
where:
Base-Base interactions energy: -435.417
where: short stacking energy: -210.100
Base-Backbone interact. energy: -1.016
local terms energy: -220.794453
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -41.786
flat angles C4'-P-C4' energy: -46.796
flat angles P-C4'-P energy: -34.082
tors. eta vs tors. theta energy: -55.584
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: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -537.896627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.896627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.896627 (E_RNA)
where:
Base-Base interactions energy: -352.517
where: short stacking energy: -159.915
Base-Backbone interact. energy: 1.092
local terms energy: -186.471554
where:
bonds (distance) C4'-P energy: -36.216
bonds (distance) P-C4' energy: -33.292
flat angles C4'-P-C4' energy: -43.840
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: -44.121
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: 7
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -568.653409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.653409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.653409 (E_RNA)
where:
Base-Base interactions energy: -364.664
where: short stacking energy: -185.287
Base-Backbone interact. energy: -0.560
local terms energy: -203.429516
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -44.981
flat angles C4'-P-C4' energy: -44.133
flat angles P-C4'-P energy: -31.095
tors. eta vs tors. theta energy: -45.581
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: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -491.801144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.801144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.801144 (E_RNA)
where:
Base-Base interactions energy: -306.074
where: short stacking energy: -139.287
Base-Backbone interact. energy: -0.988
local terms energy: -184.738864
where:
bonds (distance) C4'-P energy: -41.719
bonds (distance) P-C4' energy: -41.621
flat angles C4'-P-C4' energy: -44.719
flat angles P-C4'-P energy: -19.029
tors. eta vs tors. theta energy: -37.651
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: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -340.970568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.970568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.970568 (E_RNA)
where:
Base-Base interactions energy: -201.020
where: short stacking energy: -94.883
Base-Backbone interact. energy: -2.145
local terms energy: -137.805446
where:
bonds (distance) C4'-P energy: -33.341
bonds (distance) P-C4' energy: -39.502
flat angles C4'-P-C4' energy: -42.478
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -9.961
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: 8, replica: 1
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -300.991000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.991000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.991000 (E_RNA)
where:
Base-Base interactions energy: -153.712
where: short stacking energy: -102.413
Base-Backbone interact. energy: -0.610
local terms energy: -146.668503
where:
bonds (distance) C4'-P energy: -36.406
bonds (distance) P-C4' energy: -38.477
flat angles C4'-P-C4' energy: -26.874
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -13.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -240.103171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.103171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.103171 (E_RNA)
where:
Base-Base interactions energy: -96.380
where: short stacking energy: -74.559
Base-Backbone interact. energy: -0.563
local terms energy: -143.159964
where:
bonds (distance) C4'-P energy: -36.659
bonds (distance) P-C4' energy: -33.200
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -23.569
tors. eta vs tors. theta energy: -12.048
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: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -209.261966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.261966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.261966 (E_RNA)
where:
Base-Base interactions energy: -93.385
where: short stacking energy: -67.597
Base-Backbone interact. energy: 1.045
local terms energy: -116.921116
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -35.437
flat angles C4'-P-C4' energy: -28.223
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: 2.392
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: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -696.486970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.486970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.486970 (E_RNA)
where:
Base-Base interactions energy: -468.432
where: short stacking energy: -211.836
Base-Backbone interact. energy: -1.214
local terms energy: -226.840944
where:
bonds (distance) C4'-P energy: -47.338
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -42.897
flat angles P-C4'-P energy: -34.589
tors. eta vs tors. theta energy: -57.399
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: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -652.527299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.527299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.527299 (E_RNA)
where:
Base-Base interactions energy: -445.983
where: short stacking energy: -200.805
Base-Backbone interact. energy: -1.103
local terms energy: -205.441379
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -41.168
flat angles C4'-P-C4' energy: -44.805
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -49.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -625.853653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.853653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.853653 (E_RNA)
where:
Base-Base interactions energy: -410.250
where: short stacking energy: -179.731
Base-Backbone interact. energy: -0.792
local terms energy: -214.811533
where:
bonds (distance) C4'-P energy: -43.152
bonds (distance) P-C4' energy: -45.862
flat angles C4'-P-C4' energy: -47.194
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: -45.323
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: 4, replica: 7
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -549.227616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.227616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.227616 (E_RNA)
where:
Base-Base interactions energy: -359.468
where: short stacking energy: -183.220
Base-Backbone interact. energy: -0.573
local terms energy: -189.186885
where:
bonds (distance) C4'-P energy: -42.121
bonds (distance) P-C4' energy: -26.960
flat angles C4'-P-C4' energy: -44.295
flat angles P-C4'-P energy: -29.758
tors. eta vs tors. theta energy: -46.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -556.143942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.143942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.143942 (E_RNA)
where:
Base-Base interactions energy: -365.605
where: short stacking energy: -161.689
Base-Backbone interact. energy: 0.098
local terms energy: -190.636583
where:
bonds (distance) C4'-P energy: -40.690
bonds (distance) P-C4' energy: -27.970
flat angles C4'-P-C4' energy: -41.725
flat angles P-C4'-P energy: -34.781
tors. eta vs tors. theta energy: -45.470
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: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -513.686320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.686320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.686320 (E_RNA)
where:
Base-Base interactions energy: -328.791
where: short stacking energy: -140.104
Base-Backbone interact. energy: 3.661
local terms energy: -188.556070
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -45.806
flat angles C4'-P-C4' energy: -39.136
flat angles P-C4'-P energy: -25.200
tors. eta vs tors. theta energy: -39.133
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: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -351.473609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.473609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.473609 (E_RNA)
where:
Base-Base interactions energy: -198.394
where: short stacking energy: -97.748
Base-Backbone interact. energy: 1.931
local terms energy: -155.009992
where:
bonds (distance) C4'-P energy: -44.562
bonds (distance) P-C4' energy: -38.093
flat angles C4'-P-C4' energy: -33.708
flat angles P-C4'-P energy: -18.169
tors. eta vs tors. theta energy: -20.477
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: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -286.570536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.570536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.570536 (E_RNA)
where:
Base-Base interactions energy: -131.881
where: short stacking energy: -70.414
Base-Backbone interact. energy: -1.120
local terms energy: -153.569575
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -43.707
flat angles C4'-P-C4' energy: -43.141
flat angles P-C4'-P energy: -20.541
tors. eta vs tors. theta energy: -7.524
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: 8
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -256.546629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.546629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.546629 (E_RNA)
where:
Base-Base interactions energy: -132.308
where: short stacking energy: -95.292
Base-Backbone interact. energy: -0.810
local terms energy: -123.428881
where:
bonds (distance) C4'-P energy: -40.973
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -36.097
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -2.203
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: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -235.987130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.987130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.987130 (E_RNA)
where:
Base-Base interactions energy: -101.002
where: short stacking energy: -75.455
Base-Backbone interact. energy: -0.411
local terms energy: -134.573765
where:
bonds (distance) C4'-P energy: -33.233
bonds (distance) P-C4' energy: -42.976
flat angles C4'-P-C4' energy: -29.676
flat angles P-C4'-P energy: -24.447
tors. eta vs tors. theta energy: -4.242
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: 1, replica: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -690.969125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.969125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.969125 (E_RNA)
where:
Base-Base interactions energy: -482.579
where: short stacking energy: -227.209
Base-Backbone interact. energy: -0.562
local terms energy: -207.828132
where:
bonds (distance) C4'-P energy: -41.052
bonds (distance) P-C4' energy: -35.451
flat angles C4'-P-C4' energy: -46.954
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -52.032
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: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -661.846476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.846476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.846476 (E_RNA)
where:
Base-Base interactions energy: -438.195
where: short stacking energy: -207.588
Base-Backbone interact. energy: 0.837
local terms energy: -224.488990
where:
bonds (distance) C4'-P energy: -39.005
bonds (distance) P-C4' energy: -46.514
flat angles C4'-P-C4' energy: -48.286
flat angles P-C4'-P energy: -35.901
tors. eta vs tors. theta energy: -54.784
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: 6
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -635.202825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.202825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.202825 (E_RNA)
where:
Base-Base interactions energy: -405.777
where: short stacking energy: -201.417
Base-Backbone interact. energy: -0.721
local terms energy: -228.704259
where:
bonds (distance) C4'-P energy: -41.614
bonds (distance) P-C4' energy: -39.000
flat angles C4'-P-C4' energy: -51.672
flat angles P-C4'-P energy: -32.910
tors. eta vs tors. theta energy: -63.510
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: 4, replica: 7
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -570.955278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.955278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.955278 (E_RNA)
where:
Base-Base interactions energy: -367.651
where: short stacking energy: -195.579
Base-Backbone interact. energy: -1.079
local terms energy: -202.225020
where:
bonds (distance) C4'-P energy: -36.967
bonds (distance) P-C4' energy: -47.592
flat angles C4'-P-C4' energy: -47.584
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -47.122
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: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -536.960206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.960206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.960206 (E_RNA)
where:
Base-Base interactions energy: -344.986
where: short stacking energy: -159.710
Base-Backbone interact. energy: -0.490
local terms energy: -191.484220
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -40.317
flat angles C4'-P-C4' energy: -49.880
flat angles P-C4'-P energy: -22.869
tors. eta vs tors. theta energy: -39.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -530.218649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.218649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.218649 (E_RNA)
where:
Base-Base interactions energy: -354.912
where: short stacking energy: -162.128
Base-Backbone interact. energy: -1.198
local terms energy: -174.109362
where:
bonds (distance) C4'-P energy: -37.627
bonds (distance) P-C4' energy: -38.170
flat angles C4'-P-C4' energy: -34.152
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -40.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -396.100455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.100455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.100455 (E_RNA)
where:
Base-Base interactions energy: -238.303
where: short stacking energy: -121.615
Base-Backbone interact. energy: 0.109
local terms energy: -157.907083
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -39.413
flat angles C4'-P-C4' energy: -38.817
flat angles P-C4'-P energy: -25.309
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -300.356890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.356890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.356890 (E_RNA)
where:
Base-Base interactions energy: -160.534
where: short stacking energy: -83.133
Base-Backbone interact. energy: 0.387
local terms energy: -140.209742
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -32.572
flat angles C4'-P-C4' energy: -40.857
flat angles P-C4'-P energy: -22.438
tors. eta vs tors. theta energy: -9.812
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: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -234.297867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.297867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.297867 (E_RNA)
where:
Base-Base interactions energy: -118.213
where: short stacking energy: -76.807
Base-Backbone interact. energy: -1.224
local terms energy: -114.861500
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -28.364
flat angles C4'-P-C4' energy: -32.789
flat angles P-C4'-P energy: -22.567
tors. eta vs tors. theta energy: -3.104
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: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -251.557753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.557753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.557753 (E_RNA)
where:
Base-Base interactions energy: -114.220
where: short stacking energy: -71.373
Base-Backbone interact. energy: -0.200
local terms energy: -137.137374
where:
bonds (distance) C4'-P energy: -43.197
bonds (distance) P-C4' energy: -43.962
flat angles C4'-P-C4' energy: -33.910
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -2.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -701.761914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.761914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.761914 (E_RNA)
where:
Base-Base interactions energy: -486.483
where: short stacking energy: -226.415
Base-Backbone interact. energy: 0.935
local terms energy: -216.213902
where:
bonds (distance) C4'-P energy: -40.697
bonds (distance) P-C4' energy: -43.558
flat angles C4'-P-C4' energy: -47.048
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -52.882
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: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -682.179709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.179709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.179709 (E_RNA)
where:
Base-Base interactions energy: -457.250
where: short stacking energy: -204.096
Base-Backbone interact. energy: -0.625
local terms energy: -224.304635
where:
bonds (distance) C4'-P energy: -37.320
bonds (distance) P-C4' energy: -49.015
flat angles C4'-P-C4' energy: -46.620
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: -60.097
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: 6
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -660.824993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.824993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.824993 (E_RNA)
where:
Base-Base interactions energy: -431.470
where: short stacking energy: -217.588
Base-Backbone interact. energy: -0.748
local terms energy: -228.607338
where:
bonds (distance) C4'-P energy: -42.979
bonds (distance) P-C4' energy: -40.329
flat angles C4'-P-C4' energy: -45.726
flat angles P-C4'-P energy: -35.515
tors. eta vs tors. theta energy: -64.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -554.829603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.829603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.829603 (E_RNA)
where:
Base-Base interactions energy: -350.767
where: short stacking energy: -196.350
Base-Backbone interact. energy: -1.542
local terms energy: -202.520867
where:
bonds (distance) C4'-P energy: -33.545
bonds (distance) P-C4' energy: -46.706
flat angles C4'-P-C4' energy: -34.942
flat angles P-C4'-P energy: -31.650
tors. eta vs tors. theta energy: -55.678
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: 5, replica: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -568.428655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.428655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.428655 (E_RNA)
where:
Base-Base interactions energy: -368.102
where: short stacking energy: -161.833
Base-Backbone interact. energy: 0.227
local terms energy: -200.554259
where:
bonds (distance) C4'-P energy: -39.570
bonds (distance) P-C4' energy: -47.647
flat angles C4'-P-C4' energy: -40.173
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -41.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -515.268843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.268843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.268843 (E_RNA)
where:
Base-Base interactions energy: -333.760
where: short stacking energy: -156.181
Base-Backbone interact. energy: -1.057
local terms energy: -180.451917
where:
bonds (distance) C4'-P energy: -43.434
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -39.664
flat angles P-C4'-P energy: -31.294
tors. eta vs tors. theta energy: -32.372
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: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -362.883487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.883487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.883487 (E_RNA)
where:
Base-Base interactions energy: -212.294
where: short stacking energy: -102.145
Base-Backbone interact. energy: -1.289
local terms energy: -149.300485
where:
bonds (distance) C4'-P energy: -31.445
bonds (distance) P-C4' energy: -43.632
flat angles C4'-P-C4' energy: -35.703
flat angles P-C4'-P energy: -20.152
tors. eta vs tors. theta energy: -18.367
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: 1
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -350.487601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.487601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.487601 (E_RNA)
where:
Base-Base interactions energy: -197.577
where: short stacking energy: -91.770
Base-Backbone interact. energy: -2.548
local terms energy: -150.362760
where:
bonds (distance) C4'-P energy: -40.272
bonds (distance) P-C4' energy: -39.674
flat angles C4'-P-C4' energy: -42.231
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -10.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -243.869088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.869088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.869088 (E_RNA)
where:
Base-Base interactions energy: -99.606
where: short stacking energy: -85.980
Base-Backbone interact. energy: 0.069
local terms energy: -144.332011
where:
bonds (distance) C4'-P energy: -36.376
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -39.549
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -9.401
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: 25
Temperature: 1.350000
Total energy: -190.990683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.990683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.990683 (E_RNA)
where:
Base-Base interactions energy: -68.837
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.443
local terms energy: -121.710449
where:
bonds (distance) C4'-P energy: -40.026
bonds (distance) P-C4' energy: -38.896
flat angles C4'-P-C4' energy: -24.523
flat angles P-C4'-P energy: -20.494
tors. eta vs tors. theta energy: 2.229
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: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -699.454129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.454129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.454129 (E_RNA)
where:
Base-Base interactions energy: -468.713
where: short stacking energy: -202.337
Base-Backbone interact. energy: -1.943
local terms energy: -228.797750
where:
bonds (distance) C4'-P energy: -39.160
bonds (distance) P-C4' energy: -47.721
flat angles C4'-P-C4' energy: -44.566
flat angles P-C4'-P energy: -33.197
tors. eta vs tors. theta energy: -64.153
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: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -654.235694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.235694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.235694 (E_RNA)
where:
Base-Base interactions energy: -456.586
where: short stacking energy: -198.093
Base-Backbone interact. energy: -0.562
local terms energy: -197.087900
where:
bonds (distance) C4'-P energy: -35.989
bonds (distance) P-C4' energy: -36.889
flat angles C4'-P-C4' energy: -45.943
flat angles P-C4'-P energy: -30.801
tors. eta vs tors. theta energy: -47.466
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: 3, replica: 6
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -644.711967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.711967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.711967 (E_RNA)
where:
Base-Base interactions energy: -421.289
where: short stacking energy: -189.089
Base-Backbone interact. energy: -0.391
local terms energy: -223.031947
where:
bonds (distance) C4'-P energy: -39.887
bonds (distance) P-C4' energy: -46.170
flat angles C4'-P-C4' energy: -49.559
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -56.295
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: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -552.429096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.429096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.429096 (E_RNA)
where:
Base-Base interactions energy: -351.592
where: short stacking energy: -169.089
Base-Backbone interact. energy: -0.250
local terms energy: -200.587392
where:
bonds (distance) C4'-P energy: -38.798
bonds (distance) P-C4' energy: -41.719
flat angles C4'-P-C4' energy: -45.498
flat angles P-C4'-P energy: -26.065
tors. eta vs tors. theta energy: -48.508
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: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -625.033259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.033259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.033259 (E_RNA)
where:
Base-Base interactions energy: -421.495
where: short stacking energy: -196.613
Base-Backbone interact. energy: -0.610
local terms energy: -202.927688
where:
bonds (distance) C4'-P energy: -42.310
bonds (distance) P-C4' energy: -35.539
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -35.006
tors. eta vs tors. theta energy: -54.578
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: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -541.061816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.061816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.061816 (E_RNA)
where:
Base-Base interactions energy: -355.065
where: short stacking energy: -155.848
Base-Backbone interact. energy: -2.391
local terms energy: -183.606151
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -43.871
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -38.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -356.695138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.695138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.695138 (E_RNA)
where:
Base-Base interactions energy: -202.774
where: short stacking energy: -121.482
Base-Backbone interact. energy: -0.653
local terms energy: -153.267729
where:
bonds (distance) C4'-P energy: -41.600
bonds (distance) P-C4' energy: -36.694
flat angles C4'-P-C4' energy: -37.822
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -19.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -331.667252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.667252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.667252 (E_RNA)
where:
Base-Base interactions energy: -179.485
where: short stacking energy: -92.757
Base-Backbone interact. energy: 1.948
local terms energy: -154.130026
where:
bonds (distance) C4'-P energy: -32.294
bonds (distance) P-C4' energy: -43.306
flat angles C4'-P-C4' energy: -42.214
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -20.757
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: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -219.534544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.534544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.534544 (E_RNA)
where:
Base-Base interactions energy: -87.328
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.966
local terms energy: -131.240383
where:
bonds (distance) C4'-P energy: -37.582
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -12.682
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: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -220.531041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.531041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.531041 (E_RNA)
where:
Base-Base interactions energy: -81.985
where: short stacking energy: -66.217
Base-Backbone interact. energy: -0.398
local terms energy: -138.148468
where:
bonds (distance) C4'-P energy: -45.457
bonds (distance) P-C4' energy: -34.047
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -22.275
tors. eta vs tors. theta energy: -5.563
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: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -714.083601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.083601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.083601 (E_RNA)
where:
Base-Base interactions energy: -481.991
where: short stacking energy: -211.045
Base-Backbone interact. energy: -0.310
local terms energy: -231.782655
where:
bonds (distance) C4'-P energy: -50.060
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -40.268
flat angles P-C4'-P energy: -28.210
tors. eta vs tors. theta energy: -64.053
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: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -646.630771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.630771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.630771 (E_RNA)
where:
Base-Base interactions energy: -446.621
where: short stacking energy: -196.063
Base-Backbone interact. energy: -0.368
local terms energy: -199.642163
where:
bonds (distance) C4'-P energy: -36.845
bonds (distance) P-C4' energy: -39.553
flat angles C4'-P-C4' energy: -47.606
flat angles P-C4'-P energy: -31.047
tors. eta vs tors. theta energy: -44.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -648.285195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.285195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.285195 (E_RNA)
where:
Base-Base interactions energy: -437.531
where: short stacking energy: -210.244
Base-Backbone interact. energy: -1.206
local terms energy: -209.548544
where:
bonds (distance) C4'-P energy: -38.689
bonds (distance) P-C4' energy: -37.840
flat angles C4'-P-C4' energy: -45.543
flat angles P-C4'-P energy: -32.177
tors. eta vs tors. theta energy: -55.299
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: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -625.167028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.167028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.167028 (E_RNA)
where:
Base-Base interactions energy: -413.517
where: short stacking energy: -186.742
Base-Backbone interact. energy: -0.349
local terms energy: -211.300822
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -49.998
flat angles C4'-P-C4' energy: -38.163
flat angles P-C4'-P energy: -30.752
tors. eta vs tors. theta energy: -48.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -501.512788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.512788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.512788 (E_RNA)
where:
Base-Base interactions energy: -311.991
where: short stacking energy: -164.742
Base-Backbone interact. energy: -0.518
local terms energy: -189.003558
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -28.861
flat angles C4'-P-C4' energy: -46.464
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: -34.817
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -520.362981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.362981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.362981 (E_RNA)
where:
Base-Base interactions energy: -344.343
where: short stacking energy: -158.917
Base-Backbone interact. energy: -0.252
local terms energy: -175.767552
where:
bonds (distance) C4'-P energy: -34.397
bonds (distance) P-C4' energy: -40.654
flat angles C4'-P-C4' energy: -41.473
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -34.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -366.608894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.608894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.608894 (E_RNA)
where:
Base-Base interactions energy: -209.796
where: short stacking energy: -119.469
Base-Backbone interact. energy: -0.042
local terms energy: -156.770598
where:
bonds (distance) C4'-P energy: -36.677
bonds (distance) P-C4' energy: -41.632
flat angles C4'-P-C4' energy: -35.849
flat angles P-C4'-P energy: -18.364
tors. eta vs tors. theta energy: -24.249
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: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -320.270816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.270816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.270816 (E_RNA)
where:
Base-Base interactions energy: -179.051
where: short stacking energy: -94.623
Base-Backbone interact. energy: 0.801
local terms energy: -142.020289
where:
bonds (distance) C4'-P energy: -38.157
bonds (distance) P-C4' energy: -38.124
flat angles C4'-P-C4' energy: -37.306
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: -5.242
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: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -210.482669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.482669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.482669 (E_RNA)
where:
Base-Base interactions energy: -74.563
where: short stacking energy: -73.144
Base-Backbone interact. energy: -0.514
local terms energy: -135.405977
where:
bonds (distance) C4'-P energy: -43.808
bonds (distance) P-C4' energy: -40.213
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -23.748
tors. eta vs tors. theta energy: -0.409
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: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -182.681035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.681035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.681035 (E_RNA)
where:
Base-Base interactions energy: -63.478
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.819
local terms energy: -118.383423
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -32.715
flat angles C4'-P-C4' energy: -36.864
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: 0.778
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -688.441761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.441761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.441761 (E_RNA)
where:
Base-Base interactions energy: -463.033
where: short stacking energy: -203.615
Base-Backbone interact. energy: -1.168
local terms energy: -224.240677
where:
bonds (distance) C4'-P energy: -38.239
bonds (distance) P-C4' energy: -44.888
flat angles C4'-P-C4' energy: -49.059
flat angles P-C4'-P energy: -33.865
tors. eta vs tors. theta energy: -58.189
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: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -663.901100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.901100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.901100 (E_RNA)
where:
Base-Base interactions energy: -461.795
where: short stacking energy: -206.589
Base-Backbone interact. energy: -0.874
local terms energy: -201.231983
where:
bonds (distance) C4'-P energy: -45.705
bonds (distance) P-C4' energy: -36.128
flat angles C4'-P-C4' energy: -43.318
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -45.117
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: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -656.761187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.761187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.761187 (E_RNA)
where:
Base-Base interactions energy: -441.227
where: short stacking energy: -199.938
Base-Backbone interact. energy: -1.072
local terms energy: -214.462538
where:
bonds (distance) C4'-P energy: -40.761
bonds (distance) P-C4' energy: -47.235
flat angles C4'-P-C4' energy: -45.846
flat angles P-C4'-P energy: -26.697
tors. eta vs tors. theta energy: -53.924
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: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -623.119972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.119972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.119972 (E_RNA)
where:
Base-Base interactions energy: -416.111
where: short stacking energy: -177.832
Base-Backbone interact. energy: -2.142
local terms energy: -204.866713
where:
bonds (distance) C4'-P energy: -37.765
bonds (distance) P-C4' energy: -40.652
flat angles C4'-P-C4' energy: -46.411
flat angles P-C4'-P energy: -30.377
tors. eta vs tors. theta energy: -49.662
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: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -555.839106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.839106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.839106 (E_RNA)
where:
Base-Base interactions energy: -348.317
where: short stacking energy: -163.956
Base-Backbone interact. energy: -0.820
local terms energy: -206.702661
where:
bonds (distance) C4'-P energy: -47.839
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -43.407
flat angles P-C4'-P energy: -34.223
tors. eta vs tors. theta energy: -46.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -484.872084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.872084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.872084 (E_RNA)
where:
Base-Base interactions energy: -312.307
where: short stacking energy: -165.849
Base-Backbone interact. energy: -0.832
local terms energy: -171.733192
where:
bonds (distance) C4'-P energy: -38.635
bonds (distance) P-C4' energy: -26.259
flat angles C4'-P-C4' energy: -42.205
flat angles P-C4'-P energy: -30.838
tors. eta vs tors. theta energy: -33.796
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: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -409.885193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.885193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.885193 (E_RNA)
where:
Base-Base interactions energy: -243.597
where: short stacking energy: -122.020
Base-Backbone interact. energy: -0.987
local terms energy: -165.301719
where:
bonds (distance) C4'-P energy: -37.879
bonds (distance) P-C4' energy: -44.466
flat angles C4'-P-C4' energy: -36.524
flat angles P-C4'-P energy: -23.098
tors. eta vs tors. theta energy: -23.335
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: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -360.224727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.224727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.224727 (E_RNA)
where:
Base-Base interactions energy: -199.816
where: short stacking energy: -82.922
Base-Backbone interact. energy: 1.707
local terms energy: -162.115498
where:
bonds (distance) C4'-P energy: -38.965
bonds (distance) P-C4' energy: -42.465
flat angles C4'-P-C4' energy: -39.869
flat angles P-C4'-P energy: -21.469
tors. eta vs tors. theta energy: -19.349
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: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -210.678593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.678593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.678593 (E_RNA)
where:
Base-Base interactions energy: -65.611
where: short stacking energy: -53.995
Base-Backbone interact. energy: -0.991
local terms energy: -144.077016
where:
bonds (distance) C4'-P energy: -36.697
bonds (distance) P-C4' energy: -39.481
flat angles C4'-P-C4' energy: -40.379
flat angles P-C4'-P energy: -25.675
tors. eta vs tors. theta energy: -1.845
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: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -221.308869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.308869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.308869 (E_RNA)
where:
Base-Base interactions energy: -117.034
where: short stacking energy: -68.923
Base-Backbone interact. energy: -0.334
local terms energy: -103.940072
where:
bonds (distance) C4'-P energy: -28.963
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -24.757
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: 5.502
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: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -686.199721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.199721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.199721 (E_RNA)
where:
Base-Base interactions energy: -459.786
where: short stacking energy: -205.711
Base-Backbone interact. energy: -0.023
local terms energy: -226.390311
where:
bonds (distance) C4'-P energy: -44.611
bonds (distance) P-C4' energy: -42.278
flat angles C4'-P-C4' energy: -48.120
flat angles P-C4'-P energy: -32.988
tors. eta vs tors. theta energy: -58.394
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: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -645.571851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.571851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.571851 (E_RNA)
where:
Base-Base interactions energy: -423.292
where: short stacking energy: -185.169
Base-Backbone interact. energy: 0.202
local terms energy: -222.482098
where:
bonds (distance) C4'-P energy: -43.329
bonds (distance) P-C4' energy: -43.719
flat angles C4'-P-C4' energy: -49.580
flat angles P-C4'-P energy: -31.369
tors. eta vs tors. theta energy: -54.486
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: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -638.499797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.499797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.499797 (E_RNA)
where:
Base-Base interactions energy: -434.613
where: short stacking energy: -193.358
Base-Backbone interact. energy: -1.249
local terms energy: -202.637320
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -41.042
flat angles C4'-P-C4' energy: -49.186
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -42.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -644.887382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.887382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.887382 (E_RNA)
where:
Base-Base interactions energy: -437.528
where: short stacking energy: -209.657
Base-Backbone interact. energy: 0.535
local terms energy: -207.894370
where:
bonds (distance) C4'-P energy: -44.612
bonds (distance) P-C4' energy: -37.998
flat angles C4'-P-C4' energy: -37.292
flat angles P-C4'-P energy: -30.332
tors. eta vs tors. theta energy: -57.661
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: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -553.919316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.919316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.919316 (E_RNA)
where:
Base-Base interactions energy: -362.579
where: short stacking energy: -146.627
Base-Backbone interact. energy: -1.459
local terms energy: -189.881743
where:
bonds (distance) C4'-P energy: -37.844
bonds (distance) P-C4' energy: -48.818
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -33.527
tors. eta vs tors. theta energy: -31.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -536.725765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.725765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.725765 (E_RNA)
where:
Base-Base interactions energy: -353.694
where: short stacking energy: -157.195
Base-Backbone interact. energy: -2.882
local terms energy: -180.149614
where:
bonds (distance) C4'-P energy: -41.985
bonds (distance) P-C4' energy: -39.992
flat angles C4'-P-C4' energy: -40.956
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -34.030
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: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -494.132236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.132236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.132236 (E_RNA)
where:
Base-Base interactions energy: -305.428
where: short stacking energy: -150.083
Base-Backbone interact. energy: -1.008
local terms energy: -187.695668
where:
bonds (distance) C4'-P energy: -43.907
bonds (distance) P-C4' energy: -40.588
flat angles C4'-P-C4' energy: -41.959
flat angles P-C4'-P energy: -21.045
tors. eta vs tors. theta energy: -40.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -360.321909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.321909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.321909 (E_RNA)
where:
Base-Base interactions energy: -204.111
where: short stacking energy: -111.834
Base-Backbone interact. energy: -1.076
local terms energy: -155.134271
where:
bonds (distance) C4'-P energy: -34.142
bonds (distance) P-C4' energy: -33.410
flat angles C4'-P-C4' energy: -43.643
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -19.106
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: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -223.486242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.486242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.486242 (E_RNA)
where:
Base-Base interactions energy: -93.015
where: short stacking energy: -76.362
Base-Backbone interact. energy: -1.551
local terms energy: -128.920975
where:
bonds (distance) C4'-P energy: -41.483
bonds (distance) P-C4' energy: -36.951
flat angles C4'-P-C4' energy: -37.092
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: 0.173
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: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -202.777683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.777683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.777683 (E_RNA)
where:
Base-Base interactions energy: -84.691
where: short stacking energy: -67.911
Base-Backbone interact. energy: 0.404
local terms energy: -118.490836
where:
bonds (distance) C4'-P energy: -37.006
bonds (distance) P-C4' energy: -31.631
flat angles C4'-P-C4' energy: -29.759
flat angles P-C4'-P energy: -16.274
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -675.015734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.015734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.015734 (E_RNA)
where:
Base-Base interactions energy: -453.077
where: short stacking energy: -211.076
Base-Backbone interact. energy: -1.109
local terms energy: -220.829377
where:
bonds (distance) C4'-P energy: -47.424
bonds (distance) P-C4' energy: -42.879
flat angles C4'-P-C4' energy: -46.529
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -58.411
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: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -641.441282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.441282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.441282 (E_RNA)
where:
Base-Base interactions energy: -424.298
where: short stacking energy: -204.752
Base-Backbone interact. energy: -0.776
local terms energy: -216.367974
where:
bonds (distance) C4'-P energy: -44.311
bonds (distance) P-C4' energy: -44.824
flat angles C4'-P-C4' energy: -40.485
flat angles P-C4'-P energy: -34.055
tors. eta vs tors. theta energy: -52.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -650.082822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.082822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.082822 (E_RNA)
where:
Base-Base interactions energy: -436.802
where: short stacking energy: -209.343
Base-Backbone interact. energy: -1.749
local terms energy: -211.531672
where:
bonds (distance) C4'-P energy: -39.361
bonds (distance) P-C4' energy: -39.464
flat angles C4'-P-C4' energy: -49.095
flat angles P-C4'-P energy: -29.756
tors. eta vs tors. theta energy: -53.857
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: 4
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -639.867104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.867104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.867104 (E_RNA)
where:
Base-Base interactions energy: -432.162
where: short stacking energy: -187.853
Base-Backbone interact. energy: 0.085
local terms energy: -207.790388
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -45.560
flat angles C4'-P-C4' energy: -47.023
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -47.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -567.133340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.133340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.133340 (E_RNA)
where:
Base-Base interactions energy: -380.605
where: short stacking energy: -172.270
Base-Backbone interact. energy: -1.011
local terms energy: -185.516711
where:
bonds (distance) C4'-P energy: -37.633
bonds (distance) P-C4' energy: -37.513
flat angles C4'-P-C4' energy: -36.237
flat angles P-C4'-P energy: -26.685
tors. eta vs tors. theta energy: -47.449
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: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -546.756141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.756141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.756141 (E_RNA)
where:
Base-Base interactions energy: -356.463
where: short stacking energy: -155.425
Base-Backbone interact. energy: -1.824
local terms energy: -188.469202
where:
bonds (distance) C4'-P energy: -39.870
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -29.999
tors. eta vs tors. theta energy: -43.362
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: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -465.104185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.104185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.104185 (E_RNA)
where:
Base-Base interactions energy: -282.431
where: short stacking energy: -131.607
Base-Backbone interact. energy: -1.107
local terms energy: -181.566205
where:
bonds (distance) C4'-P energy: -45.619
bonds (distance) P-C4' energy: -37.607
flat angles C4'-P-C4' energy: -40.085
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -30.251
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: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -357.228500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.228500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.228500 (E_RNA)
where:
Base-Base interactions energy: -209.770
where: short stacking energy: -122.671
Base-Backbone interact. energy: -1.020
local terms energy: -146.438208
where:
bonds (distance) C4'-P energy: -32.463
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -37.253
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -24.742
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: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -222.720233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.720233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.720233 (E_RNA)
where:
Base-Base interactions energy: -94.143
where: short stacking energy: -79.568
Base-Backbone interact. energy: 1.730
local terms energy: -130.307194
where:
bonds (distance) C4'-P energy: -40.887
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -32.246
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -6.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -194.224610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.224610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.224610 (E_RNA)
where:
Base-Base interactions energy: -71.428
where: short stacking energy: -54.785
Base-Backbone interact. energy: 0.655
local terms energy: -123.451274
where:
bonds (distance) C4'-P energy: -39.651
bonds (distance) P-C4' energy: -31.004
flat angles C4'-P-C4' energy: -37.794
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -1.039
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: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -673.056395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.056395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.056395 (E_RNA)
where:
Base-Base interactions energy: -446.275
where: short stacking energy: -204.805
Base-Backbone interact. energy: -2.502
local terms energy: -224.280083
where:
bonds (distance) C4'-P energy: -43.647
bonds (distance) P-C4' energy: -42.366
flat angles C4'-P-C4' energy: -44.974
flat angles P-C4'-P energy: -36.436
tors. eta vs tors. theta energy: -56.857
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: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -639.440440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.440440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.440440 (E_RNA)
where:
Base-Base interactions energy: -431.106
where: short stacking energy: -180.778
Base-Backbone interact. energy: -2.020
local terms energy: -206.314565
where:
bonds (distance) C4'-P energy: -42.868
bonds (distance) P-C4' energy: -46.709
flat angles C4'-P-C4' energy: -42.286
flat angles P-C4'-P energy: -30.911
tors. eta vs tors. theta energy: -43.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -618.736155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.736155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.736155 (E_RNA)
where:
Base-Base interactions energy: -406.669
where: short stacking energy: -184.694
Base-Backbone interact. energy: 0.265
local terms energy: -212.332583
where:
bonds (distance) C4'-P energy: -37.061
bonds (distance) P-C4' energy: -41.519
flat angles C4'-P-C4' energy: -48.728
flat angles P-C4'-P energy: -40.140
tors. eta vs tors. theta energy: -44.884
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: 4
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -641.740272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.740272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.740272 (E_RNA)
where:
Base-Base interactions energy: -444.934
where: short stacking energy: -196.994
Base-Backbone interact. energy: -0.514
local terms energy: -196.291862
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -43.065
flat angles C4'-P-C4' energy: -40.631
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: -48.906
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: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -571.498234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.498234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.498234 (E_RNA)
where:
Base-Base interactions energy: -379.872
where: short stacking energy: -182.201
Base-Backbone interact. energy: 0.415
local terms energy: -192.040317
where:
bonds (distance) C4'-P energy: -40.904
bonds (distance) P-C4' energy: -35.732
flat angles C4'-P-C4' energy: -43.812
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -48.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -542.192122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.192122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.192122 (E_RNA)
where:
Base-Base interactions energy: -349.229
where: short stacking energy: -151.113
Base-Backbone interact. energy: -0.511
local terms energy: -192.452305
where:
bonds (distance) C4'-P energy: -43.883
bonds (distance) P-C4' energy: -35.953
flat angles C4'-P-C4' energy: -41.661
flat angles P-C4'-P energy: -27.774
tors. eta vs tors. theta energy: -43.182
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: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -467.931714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.931714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.931714 (E_RNA)
where:
Base-Base interactions energy: -303.632
where: short stacking energy: -142.206
Base-Backbone interact. energy: -2.431
local terms energy: -161.868804
where:
bonds (distance) C4'-P energy: -30.330
bonds (distance) P-C4' energy: -34.145
flat angles C4'-P-C4' energy: -42.195
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -29.515
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: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -339.097931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.097931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.097931 (E_RNA)
where:
Base-Base interactions energy: -184.581
where: short stacking energy: -98.201
Base-Backbone interact. energy: -2.306
local terms energy: -152.210870
where:
bonds (distance) C4'-P energy: -37.513
bonds (distance) P-C4' energy: -41.405
flat angles C4'-P-C4' energy: -36.968
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -15.039
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: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -214.861828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.861828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.861828 (E_RNA)
where:
Base-Base interactions energy: -79.804
where: short stacking energy: -63.294
Base-Backbone interact. energy: -1.487
local terms energy: -133.570585
where:
bonds (distance) C4'-P energy: -32.471
bonds (distance) P-C4' energy: -39.364
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -30.031
tors. eta vs tors. theta energy: 2.360
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: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -195.687844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.687844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.687844 (E_RNA)
where:
Base-Base interactions energy: -71.571
where: short stacking energy: -58.120
Base-Backbone interact. energy: -1.048
local terms energy: -123.068868
where:
bonds (distance) C4'-P energy: -32.275
bonds (distance) P-C4' energy: -40.186
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: 3.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -677.366076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.366076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.366076 (E_RNA)
where:
Base-Base interactions energy: -445.189
where: short stacking energy: -210.203
Base-Backbone interact. energy: -1.390
local terms energy: -230.786756
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -44.255
flat angles C4'-P-C4' energy: -49.581
flat angles P-C4'-P energy: -33.570
tors. eta vs tors. theta energy: -60.589
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: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -649.681615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.681615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.681615 (E_RNA)
where:
Base-Base interactions energy: -423.188
where: short stacking energy: -181.230
Base-Backbone interact. energy: -0.705
local terms energy: -225.788985
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -49.470
flat angles C4'-P-C4' energy: -49.655
flat angles P-C4'-P energy: -28.878
tors. eta vs tors. theta energy: -52.915
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: 3, replica: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -678.541149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.541149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.541149 (E_RNA)
where:
Base-Base interactions energy: -468.595
where: short stacking energy: -202.789
Base-Backbone interact. energy: 1.162
local terms energy: -211.107893
where:
bonds (distance) C4'-P energy: -45.216
bonds (distance) P-C4' energy: -41.340
flat angles C4'-P-C4' energy: -42.158
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -57.198
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: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -641.328247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.328247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.328247 (E_RNA)
where:
Base-Base interactions energy: -427.038
where: short stacking energy: -203.910
Base-Backbone interact. energy: -1.402
local terms energy: -212.888278
where:
bonds (distance) C4'-P energy: -36.579
bonds (distance) P-C4' energy: -38.795
flat angles C4'-P-C4' energy: -51.299
flat angles P-C4'-P energy: -28.751
tors. eta vs tors. theta energy: -57.465
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: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -574.222754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.222754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.222754 (E_RNA)
where:
Base-Base interactions energy: -367.411
where: short stacking energy: -172.711
Base-Backbone interact. energy: -0.755
local terms energy: -206.056569
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -48.989
flat angles P-C4'-P energy: -34.120
tors. eta vs tors. theta energy: -47.761
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: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -535.485799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.485799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.485799 (E_RNA)
where:
Base-Base interactions energy: -342.657
where: short stacking energy: -166.421
Base-Backbone interact. energy: -0.437
local terms energy: -192.392569
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -40.810
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: -42.280
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: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -478.723903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.723903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.723903 (E_RNA)
where:
Base-Base interactions energy: -297.906
where: short stacking energy: -131.991
Base-Backbone interact. energy: 0.176
local terms energy: -180.993464
where:
bonds (distance) C4'-P energy: -42.879
bonds (distance) P-C4' energy: -38.902
flat angles C4'-P-C4' energy: -39.388
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -34.681
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: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -322.789817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.789817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.789817 (E_RNA)
where:
Base-Base interactions energy: -165.159
where: short stacking energy: -103.151
Base-Backbone interact. energy: -1.318
local terms energy: -156.312719
where:
bonds (distance) C4'-P energy: -40.872
bonds (distance) P-C4' energy: -43.321
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -22.172
tors. eta vs tors. theta energy: -16.579
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: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -227.706217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.706217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.706217 (E_RNA)
where:
Base-Base interactions energy: -103.741
where: short stacking energy: -65.964
Base-Backbone interact. energy: -0.263
local terms energy: -123.701944
where:
bonds (distance) C4'-P energy: -38.569
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -33.538
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: 2.123
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: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -185.510289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.510289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.510289 (E_RNA)
where:
Base-Base interactions energy: -73.986
where: short stacking energy: -58.892
Base-Backbone interact. energy: -1.230
local terms energy: -110.293990
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -31.353
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: 6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -664.449460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.449460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.449460 (E_RNA)
where:
Base-Base interactions energy: -453.869
where: short stacking energy: -191.358
Base-Backbone interact. energy: -2.082
local terms energy: -208.498279
where:
bonds (distance) C4'-P energy: -37.850
bonds (distance) P-C4' energy: -48.570
flat angles C4'-P-C4' energy: -44.088
flat angles P-C4'-P energy: -31.456
tors. eta vs tors. theta energy: -46.534
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: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -693.862936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.862936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.862936 (E_RNA)
where:
Base-Base interactions energy: -477.977
where: short stacking energy: -210.161
Base-Backbone interact. energy: 0.863
local terms energy: -216.749118
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -43.811
flat angles C4'-P-C4' energy: -43.929
flat angles P-C4'-P energy: -32.788
tors. eta vs tors. theta energy: -54.890
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: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -638.854775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.854775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.854775 (E_RNA)
where:
Base-Base interactions energy: -426.425
where: short stacking energy: -193.656
Base-Backbone interact. energy: -1.153
local terms energy: -211.277021
where:
bonds (distance) C4'-P energy: -38.177
bonds (distance) P-C4' energy: -43.754
flat angles C4'-P-C4' energy: -46.207
flat angles P-C4'-P energy: -33.928
tors. eta vs tors. theta energy: -49.210
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: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -642.004582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.004582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.004582 (E_RNA)
where:
Base-Base interactions energy: -408.190
where: short stacking energy: -190.431
Base-Backbone interact. energy: -1.404
local terms energy: -232.410017
where:
bonds (distance) C4'-P energy: -41.530
bonds (distance) P-C4' energy: -42.825
flat angles C4'-P-C4' energy: -52.858
flat angles P-C4'-P energy: -36.052
tors. eta vs tors. theta energy: -59.145
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: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -592.315304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.315304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.315304 (E_RNA)
where:
Base-Base interactions energy: -397.798
where: short stacking energy: -179.053
Base-Backbone interact. energy: -0.125
local terms energy: -194.391595
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -40.039
flat angles C4'-P-C4' energy: -41.508
flat angles P-C4'-P energy: -28.337
tors. eta vs tors. theta energy: -50.995
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: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -581.931385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.931385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.931385 (E_RNA)
where:
Base-Base interactions energy: -396.307
where: short stacking energy: -178.464
Base-Backbone interact. energy: -0.634
local terms energy: -184.990423
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -29.250
flat angles C4'-P-C4' energy: -36.229
flat angles P-C4'-P energy: -32.414
tors. eta vs tors. theta energy: -45.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -505.308824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.308824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.308824 (E_RNA)
where:
Base-Base interactions energy: -312.835
where: short stacking energy: -130.901
Base-Backbone interact. energy: -3.207
local terms energy: -189.267531
where:
bonds (distance) C4'-P energy: -43.155
bonds (distance) P-C4' energy: -46.748
flat angles C4'-P-C4' energy: -41.536
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: -31.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -342.888013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.888013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.888013 (E_RNA)
where:
Base-Base interactions energy: -208.014
where: short stacking energy: -122.159
Base-Backbone interact. energy: -0.115
local terms energy: -134.759386
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -33.301
flat angles C4'-P-C4' energy: -31.229
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -27.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -207.771212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.771212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.771212 (E_RNA)
where:
Base-Base interactions energy: -84.828
where: short stacking energy: -66.454
Base-Backbone interact. energy: -1.588
local terms energy: -121.354834
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -32.586
flat angles C4'-P-C4' energy: -38.374
flat angles P-C4'-P energy: -21.963
tors. eta vs tors. theta energy: 3.243
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: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -199.298468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.298468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.298468 (E_RNA)
where:
Base-Base interactions energy: -80.466
where: short stacking energy: -77.140
Base-Backbone interact. energy: -1.167
local terms energy: -117.665383
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -30.018
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -17.525
tors. eta vs tors. theta energy: -5.107
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: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -706.973113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.973113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.973113 (E_RNA)
where:
Base-Base interactions energy: -477.038
where: short stacking energy: -219.215
Base-Backbone interact. energy: -1.007
local terms energy: -228.928589
where:
bonds (distance) C4'-P energy: -38.723
bonds (distance) P-C4' energy: -43.046
flat angles C4'-P-C4' energy: -47.611
flat angles P-C4'-P energy: -36.151
tors. eta vs tors. theta energy: -63.398
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: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -669.686075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.686075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.686075 (E_RNA)
where:
Base-Base interactions energy: -446.349
where: short stacking energy: -207.177
Base-Backbone interact. energy: 2.243
local terms energy: -225.579914
where:
bonds (distance) C4'-P energy: -43.408
bonds (distance) P-C4' energy: -40.765
flat angles C4'-P-C4' energy: -40.426
flat angles P-C4'-P energy: -38.798
tors. eta vs tors. theta energy: -62.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -634.046939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.046939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.046939 (E_RNA)
where:
Base-Base interactions energy: -410.346
where: short stacking energy: -190.713
Base-Backbone interact. energy: -0.817
local terms energy: -222.883880
where:
bonds (distance) C4'-P energy: -40.442
bonds (distance) P-C4' energy: -44.348
flat angles C4'-P-C4' energy: -46.859
flat angles P-C4'-P energy: -32.665
tors. eta vs tors. theta energy: -58.569
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: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -643.183913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.183913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.183913 (E_RNA)
where:
Base-Base interactions energy: -435.780
where: short stacking energy: -174.967
Base-Backbone interact. energy: -1.055
local terms energy: -206.348913
where:
bonds (distance) C4'-P energy: -34.609
bonds (distance) P-C4' energy: -42.433
flat angles C4'-P-C4' energy: -46.753
flat angles P-C4'-P energy: -34.199
tors. eta vs tors. theta energy: -48.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -604.477763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.477763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.477763 (E_RNA)
where:
Base-Base interactions energy: -400.910
where: short stacking energy: -195.842
Base-Backbone interact. energy: -0.838
local terms energy: -202.729286
where:
bonds (distance) C4'-P energy: -38.789
bonds (distance) P-C4' energy: -47.901
flat angles C4'-P-C4' energy: -34.303
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -60.202
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: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -542.713032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.713032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.713032 (E_RNA)
where:
Base-Base interactions energy: -361.540
where: short stacking energy: -153.087
Base-Backbone interact. energy: -0.420
local terms energy: -180.752964
where:
bonds (distance) C4'-P energy: -36.684
bonds (distance) P-C4' energy: -36.940
flat angles C4'-P-C4' energy: -40.136
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -45.892
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: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -478.118516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.118516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.118516 (E_RNA)
where:
Base-Base interactions energy: -303.114
where: short stacking energy: -142.316
Base-Backbone interact. energy: -0.342
local terms energy: -174.661614
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -39.766
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -33.541
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: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -304.534633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.534633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.534633 (E_RNA)
where:
Base-Base interactions energy: -163.420
where: short stacking energy: -97.506
Base-Backbone interact. energy: 0.780
local terms energy: -141.894172
where:
bonds (distance) C4'-P energy: -35.424
bonds (distance) P-C4' energy: -44.050
flat angles C4'-P-C4' energy: -38.578
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -234.830703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.830703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.830703 (E_RNA)
where:
Base-Base interactions energy: -117.971
where: short stacking energy: -74.596
Base-Backbone interact. energy: 2.727
local terms energy: -119.585926
where:
bonds (distance) C4'-P energy: -29.635
bonds (distance) P-C4' energy: -37.790
flat angles C4'-P-C4' energy: -27.679
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -3.137
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: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -209.582295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.582295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.582295 (E_RNA)
where:
Base-Base interactions energy: -78.194
where: short stacking energy: -57.649
Base-Backbone interact. energy: 3.439
local terms energy: -134.827337
where:
bonds (distance) C4'-P energy: -36.788
bonds (distance) P-C4' energy: -34.770
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -26.054
tors. eta vs tors. theta energy: -2.253
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: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -726.091735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.091735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.091735 (E_RNA)
where:
Base-Base interactions energy: -491.780
where: short stacking energy: -223.187
Base-Backbone interact. energy: -0.500
local terms energy: -233.812089
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -43.855
flat angles C4'-P-C4' energy: -52.238
flat angles P-C4'-P energy: -30.582
tors. eta vs tors. theta energy: -63.800
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: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -672.876655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.876655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.876655 (E_RNA)
where:
Base-Base interactions energy: -450.150
where: short stacking energy: -213.354
Base-Backbone interact. energy: -0.678
local terms energy: -222.048841
where:
bonds (distance) C4'-P energy: -39.766
bonds (distance) P-C4' energy: -44.879
flat angles C4'-P-C4' energy: -43.355
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: -60.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -650.427525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.427525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.427525 (E_RNA)
where:
Base-Base interactions energy: -421.370
where: short stacking energy: -210.145
Base-Backbone interact. energy: -0.804
local terms energy: -228.253699
where:
bonds (distance) C4'-P energy: -48.471
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -57.123
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: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -674.965516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.965516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.965516 (E_RNA)
where:
Base-Base interactions energy: -453.443
where: short stacking energy: -198.406
Base-Backbone interact. energy: -1.276
local terms energy: -220.246048
where:
bonds (distance) C4'-P energy: -45.452
bonds (distance) P-C4' energy: -39.967
flat angles C4'-P-C4' energy: -39.381
flat angles P-C4'-P energy: -40.094
tors. eta vs tors. theta energy: -55.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -609.433231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.433231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.433231 (E_RNA)
where:
Base-Base interactions energy: -397.415
where: short stacking energy: -183.216
Base-Backbone interact. energy: -0.411
local terms energy: -211.608068
where:
bonds (distance) C4'-P energy: -46.130
bonds (distance) P-C4' energy: -44.220
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -32.484
tors. eta vs tors. theta energy: -52.514
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: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -528.393805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.393805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.393805 (E_RNA)
where:
Base-Base interactions energy: -337.393
where: short stacking energy: -154.761
Base-Backbone interact. energy: -0.335
local terms energy: -190.665529
where:
bonds (distance) C4'-P energy: -35.807
bonds (distance) P-C4' energy: -47.466
flat angles C4'-P-C4' energy: -39.720
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: -40.052
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: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -484.131842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.131842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.131842 (E_RNA)
where:
Base-Base interactions energy: -304.663
where: short stacking energy: -149.992
Base-Backbone interact. energy: 2.250
local terms energy: -181.718470
where:
bonds (distance) C4'-P energy: -42.485
bonds (distance) P-C4' energy: -43.609
flat angles C4'-P-C4' energy: -43.476
flat angles P-C4'-P energy: -21.244
tors. eta vs tors. theta energy: -30.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -359.921030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.921030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.921030 (E_RNA)
where:
Base-Base interactions energy: -221.264
where: short stacking energy: -121.766
Base-Backbone interact. energy: 2.003
local terms energy: -140.660483
where:
bonds (distance) C4'-P energy: -32.776
bonds (distance) P-C4' energy: -41.836
flat angles C4'-P-C4' energy: -30.363
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -21.004
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: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -208.436218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.436218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.436218 (E_RNA)
where:
Base-Base interactions energy: -76.201
where: short stacking energy: -73.703
Base-Backbone interact. energy: 0.213
local terms energy: -132.447776
where:
bonds (distance) C4'-P energy: -36.533
bonds (distance) P-C4' energy: -41.603
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -17.671
tors. eta vs tors. theta energy: -2.803
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: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -198.321984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.321984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.321984 (E_RNA)
where:
Base-Base interactions energy: -77.807
where: short stacking energy: -66.137
Base-Backbone interact. energy: 0.091
local terms energy: -120.605903
where:
bonds (distance) C4'-P energy: -34.402
bonds (distance) P-C4' energy: -43.599
flat angles C4'-P-C4' energy: -26.223
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: 3.347
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: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -710.573057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.573057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.573057 (E_RNA)
where:
Base-Base interactions energy: -481.409
where: short stacking energy: -220.254
Base-Backbone interact. energy: 2.822
local terms energy: -231.985978
where:
bonds (distance) C4'-P energy: -44.953
bonds (distance) P-C4' energy: -49.382
flat angles C4'-P-C4' energy: -44.010
flat angles P-C4'-P energy: -31.088
tors. eta vs tors. theta energy: -62.553
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: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -679.324825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.324825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.324825 (E_RNA)
where:
Base-Base interactions energy: -451.927
where: short stacking energy: -214.534
Base-Backbone interact. energy: -1.864
local terms energy: -225.533510
where:
bonds (distance) C4'-P energy: -42.295
bonds (distance) P-C4' energy: -33.251
flat angles C4'-P-C4' energy: -51.839
flat angles P-C4'-P energy: -32.873
tors. eta vs tors. theta energy: -65.276
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: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -692.471746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.471746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.471746 (E_RNA)
where:
Base-Base interactions energy: -476.283
where: short stacking energy: -201.824
Base-Backbone interact. energy: -1.067
local terms energy: -215.121985
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -39.395
flat angles C4'-P-C4' energy: -39.860
flat angles P-C4'-P energy: -33.884
tors. eta vs tors. theta energy: -55.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -618.185236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.185236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.185236 (E_RNA)
where:
Base-Base interactions energy: -416.681
where: short stacking energy: -199.170
Base-Backbone interact. energy: 2.263
local terms energy: -203.766464
where:
bonds (distance) C4'-P energy: -38.249
bonds (distance) P-C4' energy: -40.146
flat angles C4'-P-C4' energy: -46.747
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -52.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -595.217699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.217699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.217699 (E_RNA)
where:
Base-Base interactions energy: -399.307
where: short stacking energy: -175.605
Base-Backbone interact. energy: -0.511
local terms energy: -195.399817
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -44.503
flat angles C4'-P-C4' energy: -45.725
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -44.654
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: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -515.252416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.252416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.252416 (E_RNA)
where:
Base-Base interactions energy: -333.725
where: short stacking energy: -136.976
Base-Backbone interact. energy: 0.885
local terms energy: -182.412869
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -49.438
flat angles C4'-P-C4' energy: -37.293
flat angles P-C4'-P energy: -29.138
tors. eta vs tors. theta energy: -32.612
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: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -498.590542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.590542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.590542 (E_RNA)
where:
Base-Base interactions energy: -312.887
where: short stacking energy: -167.155
Base-Backbone interact. energy: 1.884
local terms energy: -187.587131
where:
bonds (distance) C4'-P energy: -37.197
bonds (distance) P-C4' energy: -39.975
flat angles C4'-P-C4' energy: -43.191
flat angles P-C4'-P energy: -26.169
tors. eta vs tors. theta energy: -41.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -323.087918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.087918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.087918 (E_RNA)
where:
Base-Base interactions energy: -180.351
where: short stacking energy: -103.885
Base-Backbone interact. energy: 1.234
local terms energy: -143.970330
where:
bonds (distance) C4'-P energy: -37.937
bonds (distance) P-C4' energy: -36.577
flat angles C4'-P-C4' energy: -32.466
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -14.946
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: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -251.970704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.970704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.970704 (E_RNA)
where:
Base-Base interactions energy: -116.733
where: short stacking energy: -78.387
Base-Backbone interact. energy: 0.237
local terms energy: -135.474674
where:
bonds (distance) C4'-P energy: -35.716
bonds (distance) P-C4' energy: -45.208
flat angles C4'-P-C4' energy: -34.501
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -1.796
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: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -191.046646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.046646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.046646 (E_RNA)
where:
Base-Base interactions energy: -63.821
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.903
local terms energy: -126.322453
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -42.734
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: 10.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -709.936066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.936066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.936066 (E_RNA)
where:
Base-Base interactions energy: -483.353
where: short stacking energy: -217.788
Base-Backbone interact. energy: -0.416
local terms energy: -226.167939
where:
bonds (distance) C4'-P energy: -40.670
bonds (distance) P-C4' energy: -42.457
flat angles C4'-P-C4' energy: -50.614
flat angles P-C4'-P energy: -34.274
tors. eta vs tors. theta energy: -58.153
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: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -696.958191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.958191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.958191 (E_RNA)
where:
Base-Base interactions energy: -483.504
where: short stacking energy: -217.461
Base-Backbone interact. energy: 2.066
local terms energy: -215.519966
where:
bonds (distance) C4'-P energy: -39.773
bonds (distance) P-C4' energy: -35.330
flat angles C4'-P-C4' energy: -51.638
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -54.273
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: 6
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -662.843066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.843066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.843066 (E_RNA)
where:
Base-Base interactions energy: -444.650
where: short stacking energy: -217.706
Base-Backbone interact. energy: 1.693
local terms energy: -219.886271
where:
bonds (distance) C4'-P energy: -34.559
bonds (distance) P-C4' energy: -41.242
flat angles C4'-P-C4' energy: -48.168
flat angles P-C4'-P energy: -31.999
tors. eta vs tors. theta energy: -63.918
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: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -631.485689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.485689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.485689 (E_RNA)
where:
Base-Base interactions energy: -415.600
where: short stacking energy: -195.655
Base-Backbone interact. energy: -0.171
local terms energy: -215.714110
where:
bonds (distance) C4'-P energy: -49.672
bonds (distance) P-C4' energy: -42.922
flat angles C4'-P-C4' energy: -43.675
flat angles P-C4'-P energy: -26.909
tors. eta vs tors. theta energy: -52.536
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: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -611.631153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.631153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.631153 (E_RNA)
where:
Base-Base interactions energy: -405.569
where: short stacking energy: -191.970
Base-Backbone interact. energy: -0.830
local terms energy: -205.231905
where:
bonds (distance) C4'-P energy: -39.134
bonds (distance) P-C4' energy: -41.551
flat angles C4'-P-C4' energy: -40.106
flat angles P-C4'-P energy: -35.186
tors. eta vs tors. theta energy: -49.255
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: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -539.385248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.385248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.385248 (E_RNA)
where:
Base-Base interactions energy: -360.708
where: short stacking energy: -154.529
Base-Backbone interact. energy: 2.174
local terms energy: -180.850932
where:
bonds (distance) C4'-P energy: -38.096
bonds (distance) P-C4' energy: -40.208
flat angles C4'-P-C4' energy: -32.818
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -41.496
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: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -500.785356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.785356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.785356 (E_RNA)
where:
Base-Base interactions energy: -288.750
where: short stacking energy: -145.069
Base-Backbone interact. energy: -1.252
local terms energy: -210.783384
where:
bonds (distance) C4'-P energy: -40.217
bonds (distance) P-C4' energy: -49.872
flat angles C4'-P-C4' energy: -49.316
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -39.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -272.573273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.573273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.573273 (E_RNA)
where:
Base-Base interactions energy: -155.071
where: short stacking energy: -88.725
Base-Backbone interact. energy: -3.691
local terms energy: -113.810781
where:
bonds (distance) C4'-P energy: -27.316
bonds (distance) P-C4' energy: -26.160
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -8.938
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: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -310.855975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.855975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.855975 (E_RNA)
where:
Base-Base interactions energy: -176.923
where: short stacking energy: -96.039
Base-Backbone interact. energy: -2.597
local terms energy: -131.335529
where:
bonds (distance) C4'-P energy: -44.995
bonds (distance) P-C4' energy: -34.396
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -12.479
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: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -208.699459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.699459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.699459 (E_RNA)
where:
Base-Base interactions energy: -86.159
where: short stacking energy: -69.936
Base-Backbone interact. energy: 1.040
local terms energy: -123.580409
where:
bonds (distance) C4'-P energy: -35.392
bonds (distance) P-C4' energy: -40.663
flat angles C4'-P-C4' energy: -33.018
flat angles P-C4'-P energy: -15.456
tors. eta vs tors. theta energy: 0.950
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: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -713.282446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.282446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.282446 (E_RNA)
where:
Base-Base interactions energy: -465.859
where: short stacking energy: -211.566
Base-Backbone interact. energy: -1.979
local terms energy: -245.444943
where:
bonds (distance) C4'-P energy: -48.787
bonds (distance) P-C4' energy: -45.411
flat angles C4'-P-C4' energy: -48.180
flat angles P-C4'-P energy: -43.709
tors. eta vs tors. theta energy: -59.358
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: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -713.294456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.294456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.294456 (E_RNA)
where:
Base-Base interactions energy: -482.420
where: short stacking energy: -210.550
Base-Backbone interact. energy: -0.285
local terms energy: -230.589567
where:
bonds (distance) C4'-P energy: -43.716
bonds (distance) P-C4' energy: -45.226
flat angles C4'-P-C4' energy: -49.579
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -57.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -647.668869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.668869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.668869 (E_RNA)
where:
Base-Base interactions energy: -426.290
where: short stacking energy: -196.094
Base-Backbone interact. energy: -0.623
local terms energy: -220.755380
where:
bonds (distance) C4'-P energy: -39.331
bonds (distance) P-C4' energy: -43.285
flat angles C4'-P-C4' energy: -45.606
flat angles P-C4'-P energy: -35.115
tors. eta vs tors. theta energy: -57.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -629.128819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.128819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.128819 (E_RNA)
where:
Base-Base interactions energy: -424.407
where: short stacking energy: -194.716
Base-Backbone interact. energy: -1.121
local terms energy: -203.600742
where:
bonds (distance) C4'-P energy: -31.707
bonds (distance) P-C4' energy: -42.077
flat angles C4'-P-C4' energy: -42.336
flat angles P-C4'-P energy: -33.923
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: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -602.753681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.753681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.753681 (E_RNA)
where:
Base-Base interactions energy: -413.572
where: short stacking energy: -187.524
Base-Backbone interact. energy: -0.019
local terms energy: -189.162577
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -47.075
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -23.511
tors. eta vs tors. theta energy: -44.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -526.944277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.944277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.944277 (E_RNA)
where:
Base-Base interactions energy: -349.915
where: short stacking energy: -138.238
Base-Backbone interact. energy: -2.430
local terms energy: -174.598874
where:
bonds (distance) C4'-P energy: -38.634
bonds (distance) P-C4' energy: -43.183
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -24.983
tors. eta vs tors. theta energy: -36.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -498.237694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.237694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.237694 (E_RNA)
where:
Base-Base interactions energy: -318.391
where: short stacking energy: -146.880
Base-Backbone interact. energy: -2.073
local terms energy: -177.773438
where:
bonds (distance) C4'-P energy: -39.137
bonds (distance) P-C4' energy: -42.041
flat angles C4'-P-C4' energy: -43.519
flat angles P-C4'-P energy: -21.258
tors. eta vs tors. theta energy: -31.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -316.715852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.715852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.715852 (E_RNA)
where:
Base-Base interactions energy: -177.342
where: short stacking energy: -86.383
Base-Backbone interact. energy: -1.238
local terms energy: -138.136088
where:
bonds (distance) C4'-P energy: -39.291
bonds (distance) P-C4' energy: -35.089
flat angles C4'-P-C4' energy: -37.385
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -9.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -319.122410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.122410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.122410 (E_RNA)
where:
Base-Base interactions energy: -170.785
where: short stacking energy: -91.138
Base-Backbone interact. energy: -1.092
local terms energy: -147.245186
where:
bonds (distance) C4'-P energy: -27.784
bonds (distance) P-C4' energy: -34.248
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -36.471
tors. eta vs tors. theta energy: -11.963
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: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -191.817635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.817635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.817635 (E_RNA)
where:
Base-Base interactions energy: -78.304
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.853
local terms energy: -112.660895
where:
bonds (distance) C4'-P energy: -34.148
bonds (distance) P-C4' energy: -34.289
flat angles C4'-P-C4' energy: -34.970
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: 5.958
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: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -701.137413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.137413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.137413 (E_RNA)
where:
Base-Base interactions energy: -472.505
where: short stacking energy: -209.175
Base-Backbone interact. energy: -0.370
local terms energy: -228.262642
where:
bonds (distance) C4'-P energy: -48.535
bonds (distance) P-C4' energy: -39.028
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -36.523
tors. eta vs tors. theta energy: -57.268
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: 39
Temperature: 0.950000
Total energy: -727.057631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.057631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.057631 (E_RNA)
where:
Base-Base interactions energy: -500.379
where: short stacking energy: -211.097
Base-Backbone interact. energy: 2.971
local terms energy: -229.649994
where:
bonds (distance) C4'-P energy: -44.933
bonds (distance) P-C4' energy: -47.085
flat angles C4'-P-C4' energy: -47.442
flat angles P-C4'-P energy: -33.220
tors. eta vs tors. theta energy: -56.969
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: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -655.230737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.230737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.230737 (E_RNA)
where:
Base-Base interactions energy: -436.125
where: short stacking energy: -208.670
Base-Backbone interact. energy: -1.122
local terms energy: -217.982970
where:
bonds (distance) C4'-P energy: -38.576
bonds (distance) P-C4' energy: -43.245
flat angles C4'-P-C4' energy: -48.241
flat angles P-C4'-P energy: -27.465
tors. eta vs tors. theta energy: -60.456
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: 6
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -634.954148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.954148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.954148 (E_RNA)
where:
Base-Base interactions energy: -437.090
where: short stacking energy: -197.988
Base-Backbone interact. energy: -0.300
local terms energy: -197.563603
where:
bonds (distance) C4'-P energy: -39.457
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -43.339
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -49.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -608.569555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.569555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.569555 (E_RNA)
where:
Base-Base interactions energy: -407.954
where: short stacking energy: -179.249
Base-Backbone interact. energy: -0.975
local terms energy: -199.641161
where:
bonds (distance) C4'-P energy: -45.221
bonds (distance) P-C4' energy: -39.651
flat angles C4'-P-C4' energy: -44.529
flat angles P-C4'-P energy: -20.171
tors. eta vs tors. theta energy: -50.069
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: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -544.217504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.217504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.217504 (E_RNA)
where:
Base-Base interactions energy: -362.733
where: short stacking energy: -156.602
Base-Backbone interact. energy: 0.974
local terms energy: -182.458570
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -39.299
flat angles C4'-P-C4' energy: -42.874
flat angles P-C4'-P energy: -27.810
tors. eta vs tors. theta energy: -37.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -485.916495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.916495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.916495 (E_RNA)
where:
Base-Base interactions energy: -312.258
where: short stacking energy: -148.979
Base-Backbone interact. energy: -1.307
local terms energy: -172.351179
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -39.789
flat angles P-C4'-P energy: -27.221
tors. eta vs tors. theta energy: -30.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -305.428596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.428596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.428596 (E_RNA)
where:
Base-Base interactions energy: -165.531
where: short stacking energy: -101.634
Base-Backbone interact. energy: -0.239
local terms energy: -139.658021
where:
bonds (distance) C4'-P energy: -23.175
bonds (distance) P-C4' energy: -40.427
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -26.720
tors. eta vs tors. theta energy: -16.402
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: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -285.870664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.870664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.870664 (E_RNA)
where:
Base-Base interactions energy: -157.596
where: short stacking energy: -93.549
Base-Backbone interact. energy: 5.984
local terms energy: -134.258284
where:
bonds (distance) C4'-P energy: -35.841
bonds (distance) P-C4' energy: -47.293
flat angles C4'-P-C4' energy: -28.102
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -7.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -228.329890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.329890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.329890 (E_RNA)
where:
Base-Base interactions energy: -105.226
where: short stacking energy: -68.232
Base-Backbone interact. energy: -0.085
local terms energy: -123.018807
where:
bonds (distance) C4'-P energy: -37.263
bonds (distance) P-C4' energy: -34.265
flat angles C4'-P-C4' energy: -39.755
flat angles P-C4'-P energy: -21.940
tors. eta vs tors. theta energy: 10.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -704.084664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.084664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.084664 (E_RNA)
where:
Base-Base interactions energy: -488.573
where: short stacking energy: -206.384
Base-Backbone interact. energy: -0.764
local terms energy: -214.748352
where:
bonds (distance) C4'-P energy: -39.532
bonds (distance) P-C4' energy: -42.959
flat angles C4'-P-C4' energy: -49.003
flat angles P-C4'-P energy: -33.343
tors. eta vs tors. theta energy: -49.912
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: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -696.509444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.509444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.509444 (E_RNA)
where:
Base-Base interactions energy: -486.125
where: short stacking energy: -217.943
Base-Backbone interact. energy: -0.090
local terms energy: -210.295114
where:
bonds (distance) C4'-P energy: -35.868
bonds (distance) P-C4' energy: -47.960
flat angles C4'-P-C4' energy: -44.352
flat angles P-C4'-P energy: -29.363
tors. eta vs tors. theta energy: -52.752
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: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -653.341235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.341235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.341235 (E_RNA)
where:
Base-Base interactions energy: -450.469
where: short stacking energy: -206.968
Base-Backbone interact. energy: -0.539
local terms energy: -202.333802
where:
bonds (distance) C4'-P energy: -35.748
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -43.695
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -59.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -613.896229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.896229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.896229 (E_RNA)
where:
Base-Base interactions energy: -396.006
where: short stacking energy: -181.870
Base-Backbone interact. energy: -1.417
local terms energy: -216.472886
where:
bonds (distance) C4'-P energy: -40.263
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -48.423
flat angles P-C4'-P energy: -32.493
tors. eta vs tors. theta energy: -52.866
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: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -591.862348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.862348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.862348 (E_RNA)
where:
Base-Base interactions energy: -392.717
where: short stacking energy: -178.134
Base-Backbone interact. energy: -0.426
local terms energy: -198.719324
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -32.303
flat angles C4'-P-C4' energy: -44.768
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -43.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -528.013357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.013357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.013357 (E_RNA)
where:
Base-Base interactions energy: -347.384
where: short stacking energy: -164.785
Base-Backbone interact. energy: -0.246
local terms energy: -180.383761
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -44.722
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -43.535
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: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -463.023844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.023844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.023844 (E_RNA)
where:
Base-Base interactions energy: -286.467
where: short stacking energy: -136.728
Base-Backbone interact. energy: -0.079
local terms energy: -176.477735
where:
bonds (distance) C4'-P energy: -41.026
bonds (distance) P-C4' energy: -40.963
flat angles C4'-P-C4' energy: -40.303
flat angles P-C4'-P energy: -29.149
tors. eta vs tors. theta energy: -25.036
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: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -307.085397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.085397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.085397 (E_RNA)
where:
Base-Base interactions energy: -147.846
where: short stacking energy: -91.532
Base-Backbone interact. energy: -0.411
local terms energy: -158.828872
where:
bonds (distance) C4'-P energy: -42.650
bonds (distance) P-C4' energy: -33.402
flat angles C4'-P-C4' energy: -35.306
flat angles P-C4'-P energy: -25.711
tors. eta vs tors. theta energy: -21.760
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: 40
Temperature: 1.300000
Total energy: -281.099138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.099138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.099138 (E_RNA)
where:
Base-Base interactions energy: -137.978
where: short stacking energy: -83.511
Base-Backbone interact. energy: 0.048
local terms energy: -143.169642
where:
bonds (distance) C4'-P energy: -35.696
bonds (distance) P-C4' energy: -36.899
flat angles C4'-P-C4' energy: -38.383
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -12.465
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: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -229.256259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.256259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.256259 (E_RNA)
where:
Base-Base interactions energy: -107.055
where: short stacking energy: -59.678
Base-Backbone interact. energy: 0.319
local terms energy: -122.520718
where:
bonds (distance) C4'-P energy: -35.719
bonds (distance) P-C4' energy: -31.821
flat angles C4'-P-C4' energy: -31.603
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -1.383
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: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -717.835589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.835589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.835589 (E_RNA)
where:
Base-Base interactions energy: -489.211
where: short stacking energy: -210.198
Base-Backbone interact. energy: -1.291
local terms energy: -227.332997
where:
bonds (distance) C4'-P energy: -46.583
bonds (distance) P-C4' energy: -42.141
flat angles C4'-P-C4' energy: -50.261
flat angles P-C4'-P energy: -36.039
tors. eta vs tors. theta energy: -52.309
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: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -691.553613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.553613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.553613 (E_RNA)
where:
Base-Base interactions energy: -460.011
where: short stacking energy: -213.562
Base-Backbone interact. energy: -1.709
local terms energy: -229.833792
where:
bonds (distance) C4'-P energy: -46.953
bonds (distance) P-C4' energy: -46.540
flat angles C4'-P-C4' energy: -44.048
flat angles P-C4'-P energy: -33.224
tors. eta vs tors. theta energy: -59.069
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: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -675.547772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.547772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.547772 (E_RNA)
where:
Base-Base interactions energy: -446.345
where: short stacking energy: -212.007
Base-Backbone interact. energy: -1.167
local terms energy: -228.035763
where:
bonds (distance) C4'-P energy: -39.629
bonds (distance) P-C4' energy: -46.244
flat angles C4'-P-C4' energy: -50.393
flat angles P-C4'-P energy: -30.371
tors. eta vs tors. theta energy: -61.399
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: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -629.057409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.057409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.057409 (E_RNA)
where:
Base-Base interactions energy: -416.524
where: short stacking energy: -194.364
Base-Backbone interact. energy: -1.567
local terms energy: -210.967041
where:
bonds (distance) C4'-P energy: -43.179
bonds (distance) P-C4' energy: -41.995
flat angles C4'-P-C4' energy: -42.630
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -57.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -570.947775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.947775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.947775 (E_RNA)
where:
Base-Base interactions energy: -371.050
where: short stacking energy: -167.074
Base-Backbone interact. energy: -0.210
local terms energy: -199.687734
where:
bonds (distance) C4'-P energy: -37.999
bonds (distance) P-C4' energy: -37.927
flat angles C4'-P-C4' energy: -45.730
flat angles P-C4'-P energy: -31.108
tors. eta vs tors. theta energy: -46.923
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: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -528.799004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.799004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.799004 (E_RNA)
where:
Base-Base interactions energy: -348.523
where: short stacking energy: -139.586
Base-Backbone interact. energy: 1.364
local terms energy: -181.639263
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -36.913
flat angles C4'-P-C4' energy: -38.767
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: -33.856
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: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -495.134584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.134584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.134584 (E_RNA)
where:
Base-Base interactions energy: -291.303
where: short stacking energy: -151.429
Base-Backbone interact. energy: -0.837
local terms energy: -202.995281
where:
bonds (distance) C4'-P energy: -38.063
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -33.011
tors. eta vs tors. theta energy: -38.266
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: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -266.745223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.745223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.745223 (E_RNA)
where:
Base-Base interactions energy: -133.769
where: short stacking energy: -101.498
Base-Backbone interact. energy: -0.092
local terms energy: -132.884534
where:
bonds (distance) C4'-P energy: -32.094
bonds (distance) P-C4' energy: -33.102
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -21.884
tors. eta vs tors. theta energy: -10.926
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: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -351.584013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.584013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.584013 (E_RNA)
where:
Base-Base interactions energy: -197.614
where: short stacking energy: -98.750
Base-Backbone interact. energy: -0.465
local terms energy: -153.504368
where:
bonds (distance) C4'-P energy: -36.966
bonds (distance) P-C4' energy: -40.555
flat angles C4'-P-C4' energy: -32.107
flat angles P-C4'-P energy: -24.839
tors. eta vs tors. theta energy: -19.037
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: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -265.554414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.554414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.554414 (E_RNA)
where:
Base-Base interactions energy: -134.228
where: short stacking energy: -85.195
Base-Backbone interact. energy: -1.762
local terms energy: -129.564416
where:
bonds (distance) C4'-P energy: -33.999
bonds (distance) P-C4' energy: -42.237
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -8.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -717.136427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.136427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.136427 (E_RNA)
where:
Base-Base interactions energy: -496.091
where: short stacking energy: -213.302
Base-Backbone interact. energy: -0.544
local terms energy: -220.501808
where:
bonds (distance) C4'-P energy: -38.099
bonds (distance) P-C4' energy: -43.984
flat angles C4'-P-C4' energy: -52.086
flat angles P-C4'-P energy: -34.448
tors. eta vs tors. theta energy: -51.885
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: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -701.188179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.188179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.188179 (E_RNA)
where:
Base-Base interactions energy: -485.376
where: short stacking energy: -214.778
Base-Backbone interact. energy: 0.634
local terms energy: -216.446270
where:
bonds (distance) C4'-P energy: -43.501
bonds (distance) P-C4' energy: -42.413
flat angles C4'-P-C4' energy: -45.474
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -58.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -656.994435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.994435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.994435 (E_RNA)
where:
Base-Base interactions energy: -439.575
where: short stacking energy: -200.121
Base-Backbone interact. energy: 0.544
local terms energy: -217.963767
where:
bonds (distance) C4'-P energy: -32.641
bonds (distance) P-C4' energy: -49.499
flat angles C4'-P-C4' energy: -43.764
flat angles P-C4'-P energy: -31.521
tors. eta vs tors. theta energy: -60.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -641.604778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.604778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.604778 (E_RNA)
where:
Base-Base interactions energy: -421.295
where: short stacking energy: -210.633
Base-Backbone interact. energy: -0.344
local terms energy: -219.965867
where:
bonds (distance) C4'-P energy: -44.355
bonds (distance) P-C4' energy: -45.477
flat angles C4'-P-C4' energy: -41.581
flat angles P-C4'-P energy: -30.389
tors. eta vs tors. theta energy: -58.164
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: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -571.400047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.400047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.400047 (E_RNA)
where:
Base-Base interactions energy: -384.153
where: short stacking energy: -154.948
Base-Backbone interact. energy: -2.306
local terms energy: -184.940960
where:
bonds (distance) C4'-P energy: -41.827
bonds (distance) P-C4' energy: -33.637
flat angles C4'-P-C4' energy: -39.970
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -40.070
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: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -549.239523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.239523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.239523 (E_RNA)
where:
Base-Base interactions energy: -356.720
where: short stacking energy: -160.299
Base-Backbone interact. energy: 0.227
local terms energy: -192.746775
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -48.607
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -43.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -493.383098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.383098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.383098 (E_RNA)
where:
Base-Base interactions energy: -304.947
where: short stacking energy: -160.806
Base-Backbone interact. energy: 0.374
local terms energy: -188.809455
where:
bonds (distance) C4'-P energy: -34.570
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -44.381
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -46.020
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: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -286.665395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.665395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.665395 (E_RNA)
where:
Base-Base interactions energy: -130.926
where: short stacking energy: -95.491
Base-Backbone interact. energy: -1.413
local terms energy: -154.326698
where:
bonds (distance) C4'-P energy: -44.340
bonds (distance) P-C4' energy: -39.803
flat angles C4'-P-C4' energy: -33.334
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -15.848
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: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -341.020752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.020752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.020752 (E_RNA)
where:
Base-Base interactions energy: -173.948
where: short stacking energy: -85.221
Base-Backbone interact. energy: -0.268
local terms energy: -166.804563
where:
bonds (distance) C4'-P energy: -43.273
bonds (distance) P-C4' energy: -42.466
flat angles C4'-P-C4' energy: -48.151
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -260.264441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.264441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.264441 (E_RNA)
where:
Base-Base interactions energy: -122.904
where: short stacking energy: -77.033
Base-Backbone interact. energy: -0.935
local terms energy: -136.425463
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -38.990
flat angles C4'-P-C4' energy: -38.689
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -6.211
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: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -718.614115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.614115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.614115 (E_RNA)
where:
Base-Base interactions energy: -484.244
where: short stacking energy: -214.185
Base-Backbone interact. energy: -0.387
local terms energy: -233.983572
where:
bonds (distance) C4'-P energy: -45.133
bonds (distance) P-C4' energy: -45.309
flat angles C4'-P-C4' energy: -50.908
flat angles P-C4'-P energy: -38.232
tors. eta vs tors. theta energy: -54.401
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: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -715.102239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.102239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.102239 (E_RNA)
where:
Base-Base interactions energy: -482.007
where: short stacking energy: -213.581
Base-Backbone interact. energy: 0.118
local terms energy: -233.213367
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -51.280
flat angles P-C4'-P energy: -35.384
tors. eta vs tors. theta energy: -62.469
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: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -637.189349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.189349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.189349 (E_RNA)
where:
Base-Base interactions energy: -419.508
where: short stacking energy: -185.406
Base-Backbone interact. energy: 1.212
local terms energy: -218.893129
where:
bonds (distance) C4'-P energy: -45.487
bonds (distance) P-C4' energy: -40.978
flat angles C4'-P-C4' energy: -45.953
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: -49.379
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: 4, replica: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -668.002786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.002786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.002786 (E_RNA)
where:
Base-Base interactions energy: -427.559
where: short stacking energy: -205.922
Base-Backbone interact. energy: -2.863
local terms energy: -237.580232
where:
bonds (distance) C4'-P energy: -45.722
bonds (distance) P-C4' energy: -45.361
flat angles C4'-P-C4' energy: -50.816
flat angles P-C4'-P energy: -34.847
tors. eta vs tors. theta energy: -60.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -544.116429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.116429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.116429 (E_RNA)
where:
Base-Base interactions energy: -368.438
where: short stacking energy: -148.676
Base-Backbone interact. energy: -1.318
local terms energy: -174.359759
where:
bonds (distance) C4'-P energy: -43.105
bonds (distance) P-C4' energy: -32.463
flat angles C4'-P-C4' energy: -37.520
flat angles P-C4'-P energy: -27.862
tors. eta vs tors. theta energy: -33.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -522.495645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.495645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.495645 (E_RNA)
where:
Base-Base interactions energy: -325.691
where: short stacking energy: -156.525
Base-Backbone interact. energy: -1.042
local terms energy: -195.762943
where:
bonds (distance) C4'-P energy: -38.810
bonds (distance) P-C4' energy: -39.051
flat angles C4'-P-C4' energy: -47.947
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -40.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -470.890045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.890045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.890045 (E_RNA)
where:
Base-Base interactions energy: -305.669
where: short stacking energy: -141.624
Base-Backbone interact. energy: -0.282
local terms energy: -164.938520
where:
bonds (distance) C4'-P energy: -31.498
bonds (distance) P-C4' energy: -39.534
flat angles C4'-P-C4' energy: -39.223
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -31.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -364.070254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.070254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.070254 (E_RNA)
where:
Base-Base interactions energy: -204.338
where: short stacking energy: -109.627
Base-Backbone interact. energy: -1.983
local terms energy: -157.749363
where:
bonds (distance) C4'-P energy: -32.607
bonds (distance) P-C4' energy: -39.949
flat angles C4'-P-C4' energy: -44.322
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -272.957735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.957735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.957735 (E_RNA)
where:
Base-Base interactions energy: -125.438
where: short stacking energy: -87.272
Base-Backbone interact. energy: -1.790
local terms energy: -145.729949
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -38.121
flat angles C4'-P-C4' energy: -31.145
flat angles P-C4'-P energy: -28.517
tors. eta vs tors. theta energy: -9.873
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: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -257.095426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.095426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.095426 (E_RNA)
where:
Base-Base interactions energy: -125.623
where: short stacking energy: -82.895
Base-Backbone interact. energy: -1.297
local terms energy: -130.175471
where:
bonds (distance) C4'-P energy: -40.038
bonds (distance) P-C4' energy: -35.137
flat angles C4'-P-C4' energy: -33.494
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -722.555448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.555448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.555448 (E_RNA)
where:
Base-Base interactions energy: -496.818
where: short stacking energy: -215.303
Base-Backbone interact. energy: -0.374
local terms energy: -225.363547
where:
bonds (distance) C4'-P energy: -48.214
bonds (distance) P-C4' energy: -40.370
flat angles C4'-P-C4' energy: -48.387
flat angles P-C4'-P energy: -25.506
tors. eta vs tors. theta energy: -62.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -711.912585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.912585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.912585 (E_RNA)
where:
Base-Base interactions energy: -489.440
where: short stacking energy: -203.159
Base-Backbone interact. energy: 3.778
local terms energy: -226.249823
where:
bonds (distance) C4'-P energy: -46.261
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -43.138
flat angles P-C4'-P energy: -38.666
tors. eta vs tors. theta energy: -59.600
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: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -660.210725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.210725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.210725 (E_RNA)
where:
Base-Base interactions energy: -433.743
where: short stacking energy: -199.160
Base-Backbone interact. energy: -1.515
local terms energy: -224.953240
where:
bonds (distance) C4'-P energy: -39.238
bonds (distance) P-C4' energy: -46.020
flat angles C4'-P-C4' energy: -44.751
flat angles P-C4'-P energy: -38.298
tors. eta vs tors. theta energy: -56.645
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: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -651.623146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.623146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.623146 (E_RNA)
where:
Base-Base interactions energy: -447.321
where: short stacking energy: -183.097
Base-Backbone interact. energy: 0.048
local terms energy: -204.350526
where:
bonds (distance) C4'-P energy: -34.000
bonds (distance) P-C4' energy: -44.464
flat angles C4'-P-C4' energy: -46.301
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -52.501
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: 44
Temperature: 1.100000
Total energy: -545.010521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.010521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.010521 (E_RNA)
where:
Base-Base interactions energy: -355.751
where: short stacking energy: -151.742
Base-Backbone interact. energy: -1.453
local terms energy: -187.806893
where:
bonds (distance) C4'-P energy: -38.821
bonds (distance) P-C4' energy: -43.333
flat angles C4'-P-C4' energy: -37.870
flat angles P-C4'-P energy: -30.538
tors. eta vs tors. theta energy: -37.245
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: 44
Temperature: 1.150000
Total energy: -531.703354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.703354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.703354 (E_RNA)
where:
Base-Base interactions energy: -338.640
where: short stacking energy: -177.528
Base-Backbone interact. energy: -0.408
local terms energy: -192.655292
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -45.258
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -47.347
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: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -477.035486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.035486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.035486 (E_RNA)
where:
Base-Base interactions energy: -299.699
where: short stacking energy: -155.327
Base-Backbone interact. energy: -0.209
local terms energy: -177.128065
where:
bonds (distance) C4'-P energy: -37.895
bonds (distance) P-C4' energy: -37.968
flat angles C4'-P-C4' energy: -39.835
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -32.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -363.171770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.171770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.171770 (E_RNA)
where:
Base-Base interactions energy: -191.321
where: short stacking energy: -114.345
Base-Backbone interact. energy: -0.485
local terms energy: -171.366532
where:
bonds (distance) C4'-P energy: -39.939
bonds (distance) P-C4' energy: -47.324
flat angles C4'-P-C4' energy: -41.350
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -300.392974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.392974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.392974 (E_RNA)
where:
Base-Base interactions energy: -146.653
where: short stacking energy: -89.630
Base-Backbone interact. energy: 1.267
local terms energy: -155.006592
where:
bonds (distance) C4'-P energy: -34.994
bonds (distance) P-C4' energy: -40.421
flat angles C4'-P-C4' energy: -38.139
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -191.199805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.199805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.199805 (E_RNA)
where:
Base-Base interactions energy: -73.839
where: short stacking energy: -64.522
Base-Backbone interact. energy: 0.798
local terms energy: -118.158072
where:
bonds (distance) C4'-P energy: -42.385
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -39.379
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: 4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -720.568674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.568674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.568674 (E_RNA)
where:
Base-Base interactions energy: -480.728
where: short stacking energy: -204.996
Base-Backbone interact. energy: -1.816
local terms energy: -238.024786
where:
bonds (distance) C4'-P energy: -45.366
bonds (distance) P-C4' energy: -49.951
flat angles C4'-P-C4' energy: -47.860
flat angles P-C4'-P energy: -32.258
tors. eta vs tors. theta energy: -62.589
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: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -676.836202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.836202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.836202 (E_RNA)
where:
Base-Base interactions energy: -451.054
where: short stacking energy: -206.192
Base-Backbone interact. energy: -1.205
local terms energy: -224.577975
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -41.179
flat angles C4'-P-C4' energy: -53.345
flat angles P-C4'-P energy: -31.824
tors. eta vs tors. theta energy: -61.589
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: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -695.104940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.104940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.104940 (E_RNA)
where:
Base-Base interactions energy: -482.171
where: short stacking energy: -200.777
Base-Backbone interact. energy: -0.571
local terms energy: -212.362676
where:
bonds (distance) C4'-P energy: -39.126
bonds (distance) P-C4' energy: -36.514
flat angles C4'-P-C4' energy: -47.812
flat angles P-C4'-P energy: -29.680
tors. eta vs tors. theta energy: -59.232
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: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -647.443209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.443209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.443209 (E_RNA)
where:
Base-Base interactions energy: -436.276
where: short stacking energy: -191.638
Base-Backbone interact. energy: -1.312
local terms energy: -209.855362
where:
bonds (distance) C4'-P energy: -37.512
bonds (distance) P-C4' energy: -41.244
flat angles C4'-P-C4' energy: -42.842
flat angles P-C4'-P energy: -30.863
tors. eta vs tors. theta energy: -57.394
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: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -560.251948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.251948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.251948 (E_RNA)
where:
Base-Base interactions energy: -368.307
where: short stacking energy: -161.858
Base-Backbone interact. energy: -0.161
local terms energy: -191.783752
where:
bonds (distance) C4'-P energy: -46.562
bonds (distance) P-C4' energy: -41.385
flat angles C4'-P-C4' energy: -42.628
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -44.237
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: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -522.185179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.185179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.185179 (E_RNA)
where:
Base-Base interactions energy: -329.617
where: short stacking energy: -163.986
Base-Backbone interact. energy: -1.537
local terms energy: -191.031334
where:
bonds (distance) C4'-P energy: -46.125
bonds (distance) P-C4' energy: -41.548
flat angles C4'-P-C4' energy: -42.373
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -46.728
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -462.456855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.456855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.456855 (E_RNA)
where:
Base-Base interactions energy: -317.034
where: short stacking energy: -125.234
Base-Backbone interact. energy: -1.195
local terms energy: -144.228097
where:
bonds (distance) C4'-P energy: -27.405
bonds (distance) P-C4' energy: -41.114
flat angles C4'-P-C4' energy: -34.380
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -19.871
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: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -380.705390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.705390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.705390 (E_RNA)
where:
Base-Base interactions energy: -228.674
where: short stacking energy: -129.615
Base-Backbone interact. energy: 1.925
local terms energy: -153.955984
where:
bonds (distance) C4'-P energy: -25.465
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -32.347
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -29.014
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -293.176514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.176514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.176514 (E_RNA)
where:
Base-Base interactions energy: -159.353
where: short stacking energy: -84.732
Base-Backbone interact. energy: -0.785
local terms energy: -133.038699
where:
bonds (distance) C4'-P energy: -37.410
bonds (distance) P-C4' energy: -42.292
flat angles C4'-P-C4' energy: -30.746
flat angles P-C4'-P energy: -5.950
tors. eta vs tors. theta energy: -16.641
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: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -223.663769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.663769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.663769 (E_RNA)
where:
Base-Base interactions energy: -84.821
where: short stacking energy: -77.949
Base-Backbone interact. energy: -0.300
local terms energy: -138.542733
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -39.882
flat angles C4'-P-C4' energy: -30.356
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -9.691
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: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -725.775389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.775389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.775389 (E_RNA)
where:
Base-Base interactions energy: -488.181
where: short stacking energy: -224.272
Base-Backbone interact. energy: -0.950
local terms energy: -236.643939
where:
bonds (distance) C4'-P energy: -47.432
bonds (distance) P-C4' energy: -46.686
flat angles C4'-P-C4' energy: -52.340
flat angles P-C4'-P energy: -28.945
tors. eta vs tors. theta energy: -61.241
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: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -690.478351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.478351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.478351 (E_RNA)
where:
Base-Base interactions energy: -460.500
where: short stacking energy: -220.984
Base-Backbone interact. energy: 0.816
local terms energy: -230.794058
where:
bonds (distance) C4'-P energy: -40.675
bonds (distance) P-C4' energy: -45.993
flat angles C4'-P-C4' energy: -46.089
flat angles P-C4'-P energy: -36.426
tors. eta vs tors. theta energy: -61.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -689.299126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.299126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.299126 (E_RNA)
where:
Base-Base interactions energy: -474.649
where: short stacking energy: -196.795
Base-Backbone interact. energy: -1.976
local terms energy: -212.674312
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -34.715
tors. eta vs tors. theta energy: -51.828
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -663.893097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.893097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.893097 (E_RNA)
where:
Base-Base interactions energy: -451.168
where: short stacking energy: -205.026
Base-Backbone interact. energy: 4.626
local terms energy: -217.351788
where:
bonds (distance) C4'-P energy: -37.646
bonds (distance) P-C4' energy: -42.212
flat angles C4'-P-C4' energy: -45.078
flat angles P-C4'-P energy: -36.227
tors. eta vs tors. theta energy: -56.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -564.551923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.551923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.551923 (E_RNA)
where:
Base-Base interactions energy: -371.933
where: short stacking energy: -165.564
Base-Backbone interact. energy: -0.185
local terms energy: -192.433504
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -43.027
flat angles C4'-P-C4' energy: -46.352
flat angles P-C4'-P energy: -29.833
tors. eta vs tors. theta energy: -41.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -518.144950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.144950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.144950 (E_RNA)
where:
Base-Base interactions energy: -339.332
where: short stacking energy: -153.583
Base-Backbone interact. energy: -1.426
local terms energy: -177.387148
where:
bonds (distance) C4'-P energy: -45.597
bonds (distance) P-C4' energy: -46.619
flat angles C4'-P-C4' energy: -28.675
flat angles P-C4'-P energy: -23.747
tors. eta vs tors. theta energy: -32.749
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: 46
Temperature: 1.200000
Total energy: -472.787906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.787906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.787906 (E_RNA)
where:
Base-Base interactions energy: -300.556
where: short stacking energy: -145.311
Base-Backbone interact. energy: -0.002
local terms energy: -172.229728
where:
bonds (distance) C4'-P energy: -37.785
bonds (distance) P-C4' energy: -35.797
flat angles C4'-P-C4' energy: -41.279
flat angles P-C4'-P energy: -20.509
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: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -366.653208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.653208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.653208 (E_RNA)
where:
Base-Base interactions energy: -217.153
where: short stacking energy: -105.986
Base-Backbone interact. energy: -2.456
local terms energy: -147.043581
where:
bonds (distance) C4'-P energy: -33.611
bonds (distance) P-C4' energy: -40.936
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -21.525
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: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -223.662093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.662093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.662093 (E_RNA)
where:
Base-Base interactions energy: -105.067
where: short stacking energy: -60.221
Base-Backbone interact. energy: -0.417
local terms energy: -118.178124
where:
bonds (distance) C4'-P energy: -43.898
bonds (distance) P-C4' energy: -37.951
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -4.447
tors. eta vs tors. theta energy: -1.261
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: 46
Temperature: 1.350000
Total energy: -268.781808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.781808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.781808 (E_RNA)
where:
Base-Base interactions energy: -141.615
where: short stacking energy: -83.745
Base-Backbone interact. energy: -1.121
local terms energy: -126.045945
where:
bonds (distance) C4'-P energy: -32.785
bonds (distance) P-C4' energy: -38.563
flat angles C4'-P-C4' energy: -38.318
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -1.782
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: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -734.143880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.143880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.143880 (E_RNA)
where:
Base-Base interactions energy: -505.557
where: short stacking energy: -224.593
Base-Backbone interact. energy: -1.253
local terms energy: -227.333112
where:
bonds (distance) C4'-P energy: -47.779
bonds (distance) P-C4' energy: -49.428
flat angles C4'-P-C4' energy: -53.024
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -55.059
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: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -678.500411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.500411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.500411 (E_RNA)
where:
Base-Base interactions energy: -450.014
where: short stacking energy: -217.178
Base-Backbone interact. energy: -0.578
local terms energy: -227.908895
where:
bonds (distance) C4'-P energy: -36.300
bonds (distance) P-C4' energy: -45.580
flat angles C4'-P-C4' energy: -51.322
flat angles P-C4'-P energy: -35.847
tors. eta vs tors. theta energy: -58.860
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: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -678.637168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.637168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.637168 (E_RNA)
where:
Base-Base interactions energy: -458.872
where: short stacking energy: -207.928
Base-Backbone interact. energy: -0.074
local terms energy: -219.691682
where:
bonds (distance) C4'-P energy: -38.822
bonds (distance) P-C4' energy: -44.789
flat angles C4'-P-C4' energy: -47.202
flat angles P-C4'-P energy: -34.627
tors. eta vs tors. theta energy: -54.251
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: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -676.226162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.226162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.226162 (E_RNA)
where:
Base-Base interactions energy: -468.049
where: short stacking energy: -204.586
Base-Backbone interact. energy: 3.722
local terms energy: -211.899386
where:
bonds (distance) C4'-P energy: -38.090
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -42.968
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -56.218
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: 5
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -569.741250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.741250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.741250 (E_RNA)
where:
Base-Base interactions energy: -375.324
where: short stacking energy: -170.109
Base-Backbone interact. energy: 3.562
local terms energy: -197.979535
where:
bonds (distance) C4'-P energy: -34.748
bonds (distance) P-C4' energy: -40.033
flat angles C4'-P-C4' energy: -46.734
flat angles P-C4'-P energy: -31.824
tors. eta vs tors. theta energy: -44.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -479.863721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.863721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.863721 (E_RNA)
where:
Base-Base interactions energy: -297.433
where: short stacking energy: -148.833
Base-Backbone interact. energy: 0.321
local terms energy: -182.751394
where:
bonds (distance) C4'-P energy: -40.590
bonds (distance) P-C4' energy: -39.305
flat angles C4'-P-C4' energy: -35.283
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: -38.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -517.627718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.627718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.627718 (E_RNA)
where:
Base-Base interactions energy: -338.412
where: short stacking energy: -143.347
Base-Backbone interact. energy: -2.185
local terms energy: -177.030733
where:
bonds (distance) C4'-P energy: -30.104
bonds (distance) P-C4' energy: -37.807
flat angles C4'-P-C4' energy: -42.679
flat angles P-C4'-P energy: -24.774
tors. eta vs tors. theta energy: -41.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -343.308015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.308015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.308015 (E_RNA)
where:
Base-Base interactions energy: -206.180
where: short stacking energy: -99.873
Base-Backbone interact. energy: 0.186
local terms energy: -137.313365
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -32.761
flat angles C4'-P-C4' energy: -39.126
flat angles P-C4'-P energy: -27.626
tors. eta vs tors. theta energy: -16.414
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: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -225.160981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.160981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.160981 (E_RNA)
where:
Base-Base interactions energy: -92.582
where: short stacking energy: -70.713
Base-Backbone interact. energy: -1.400
local terms energy: -131.179073
where:
bonds (distance) C4'-P energy: -38.481
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -36.720
flat angles P-C4'-P energy: -18.148
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -269.603247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.603247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.603247 (E_RNA)
where:
Base-Base interactions energy: -122.581
where: short stacking energy: -69.695
Base-Backbone interact. energy: -0.629
local terms energy: -146.392891
where:
bonds (distance) C4'-P energy: -43.018
bonds (distance) P-C4' energy: -43.154
flat angles C4'-P-C4' energy: -37.103
flat angles P-C4'-P energy: -21.496
tors. eta vs tors. theta energy: -1.622
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: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -734.330256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.330256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.330256 (E_RNA)
where:
Base-Base interactions energy: -499.868
where: short stacking energy: -205.988
Base-Backbone interact. energy: -1.077
local terms energy: -233.386116
where:
bonds (distance) C4'-P energy: -43.219
bonds (distance) P-C4' energy: -47.970
flat angles C4'-P-C4' energy: -49.537
flat angles P-C4'-P energy: -32.863
tors. eta vs tors. theta energy: -59.798
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: 48
Temperature: 0.950000
Total energy: -682.209109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.209109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.209109 (E_RNA)
where:
Base-Base interactions energy: -459.308
where: short stacking energy: -212.989
Base-Backbone interact. energy: -0.480
local terms energy: -222.421287
where:
bonds (distance) C4'-P energy: -44.629
bonds (distance) P-C4' energy: -40.760
flat angles C4'-P-C4' energy: -46.692
flat angles P-C4'-P energy: -33.610
tors. eta vs tors. theta energy: -56.730
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: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -670.424967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.424967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.424967 (E_RNA)
where:
Base-Base interactions energy: -447.496
where: short stacking energy: -188.793
Base-Backbone interact. energy: -1.354
local terms energy: -221.575324
where:
bonds (distance) C4'-P energy: -42.640
bonds (distance) P-C4' energy: -44.905
flat angles C4'-P-C4' energy: -52.066
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -50.602
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: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -678.274924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.274924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.274924 (E_RNA)
where:
Base-Base interactions energy: -464.651
where: short stacking energy: -197.489
Base-Backbone interact. energy: -1.475
local terms energy: -212.148870
where:
bonds (distance) C4'-P energy: -34.779
bonds (distance) P-C4' energy: -39.674
flat angles C4'-P-C4' energy: -48.640
flat angles P-C4'-P energy: -35.686
tors. eta vs tors. theta energy: -53.369
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: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -568.264029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.264029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.264029 (E_RNA)
where:
Base-Base interactions energy: -379.826
where: short stacking energy: -170.561
Base-Backbone interact. energy: -1.458
local terms energy: -186.979822
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -31.814
flat angles C4'-P-C4' energy: -47.922
flat angles P-C4'-P energy: -32.251
tors. eta vs tors. theta energy: -42.277
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: 7
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -461.654619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.654619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.654619 (E_RNA)
where:
Base-Base interactions energy: -269.582
where: short stacking energy: -132.052
Base-Backbone interact. energy: -1.372
local terms energy: -190.700325
where:
bonds (distance) C4'-P energy: -39.076
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -43.969
flat angles P-C4'-P energy: -34.440
tors. eta vs tors. theta energy: -29.633
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: 48
Temperature: 1.200000
Total energy: -480.858756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.858756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.858756 (E_RNA)
where:
Base-Base interactions energy: -315.290
where: short stacking energy: -155.950
Base-Backbone interact. energy: -0.353
local terms energy: -165.215908
where:
bonds (distance) C4'-P energy: -31.899
bonds (distance) P-C4' energy: -34.997
flat angles C4'-P-C4' energy: -35.365
flat angles P-C4'-P energy: -28.533
tors. eta vs tors. theta energy: -34.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -375.080613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.080613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.080613 (E_RNA)
where:
Base-Base interactions energy: -229.087
where: short stacking energy: -122.807
Base-Backbone interact. energy: 1.013
local terms energy: -147.006710
where:
bonds (distance) C4'-P energy: -24.295
bonds (distance) P-C4' energy: -40.489
flat angles C4'-P-C4' energy: -31.972
flat angles P-C4'-P energy: -25.354
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: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -254.776593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.776593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.776593 (E_RNA)
where:
Base-Base interactions energy: -125.714
where: short stacking energy: -86.599
Base-Backbone interact. energy: -0.419
local terms energy: -128.643942
where:
bonds (distance) C4'-P energy: -37.944
bonds (distance) P-C4' energy: -33.314
flat angles C4'-P-C4' energy: -26.505
flat angles P-C4'-P energy: -27.137
tors. eta vs tors. theta energy: -3.745
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: 48
Temperature: 1.350000
Total energy: -207.664388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.664388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.664388 (E_RNA)
where:
Base-Base interactions energy: -95.092
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.588
local terms energy: -111.985035
where:
bonds (distance) C4'-P energy: -30.765
bonds (distance) P-C4' energy: -33.582
flat angles C4'-P-C4' energy: -33.501
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: 0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -738.568294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.568294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.568294 (E_RNA)
where:
Base-Base interactions energy: -511.758
where: short stacking energy: -216.120
Base-Backbone interact. energy: -1.334
local terms energy: -225.475970
where:
bonds (distance) C4'-P energy: -45.907
bonds (distance) P-C4' energy: -46.884
flat angles C4'-P-C4' energy: -46.509
flat angles P-C4'-P energy: -31.345
tors. eta vs tors. theta energy: -54.830
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: 2, replica: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -681.979375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.979375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.979375 (E_RNA)
where:
Base-Base interactions energy: -449.447
where: short stacking energy: -213.202
Base-Backbone interact. energy: 0.221
local terms energy: -232.753120
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -45.784
flat angles C4'-P-C4' energy: -52.517
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: -59.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -651.773166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.773166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.773166 (E_RNA)
where:
Base-Base interactions energy: -438.982
where: short stacking energy: -187.609
Base-Backbone interact. energy: -2.846
local terms energy: -209.944482
where:
bonds (distance) C4'-P energy: -41.515
bonds (distance) P-C4' energy: -43.367
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -25.068
tors. eta vs tors. theta energy: -51.166
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: 4, replica: 3
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -681.561886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.561886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.561886 (E_RNA)
where:
Base-Base interactions energy: -462.079
where: short stacking energy: -188.944
Base-Backbone interact. energy: -0.504
local terms energy: -218.978736
where:
bonds (distance) C4'-P energy: -43.193
bonds (distance) P-C4' energy: -40.843
flat angles C4'-P-C4' energy: -51.699
flat angles P-C4'-P energy: -31.745
tors. eta vs tors. theta energy: -51.498
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: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -557.755958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.755958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.755958 (E_RNA)
where:
Base-Base interactions energy: -368.099
where: short stacking energy: -157.956
Base-Backbone interact. energy: -0.291
local terms energy: -189.366022
where:
bonds (distance) C4'-P energy: -34.489
bonds (distance) P-C4' energy: -47.321
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -27.846
tors. eta vs tors. theta energy: -39.956
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: 49
Temperature: 1.150000
Total energy: -512.670891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.670891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.670891 (E_RNA)
where:
Base-Base interactions energy: -330.968
where: short stacking energy: -137.402
Base-Backbone interact. energy: -0.959
local terms energy: -180.743807
where:
bonds (distance) C4'-P energy: -36.401
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -35.688
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: -35.725
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: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -467.808466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.808466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.808466 (E_RNA)
where:
Base-Base interactions energy: -294.088
where: short stacking energy: -156.015
Base-Backbone interact. energy: -0.487
local terms energy: -173.233691
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -34.386
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -30.332
tors. eta vs tors. theta energy: -38.965
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: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -365.517346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.517346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.517346 (E_RNA)
where:
Base-Base interactions energy: -235.442
where: short stacking energy: -101.946
Base-Backbone interact. energy: -1.131
local terms energy: -128.944640
where:
bonds (distance) C4'-P energy: -28.719
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -9.207
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: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -297.995767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.995767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.995767 (E_RNA)
where:
Base-Base interactions energy: -159.720
where: short stacking energy: -89.338
Base-Backbone interact. energy: -0.347
local terms energy: -137.928990
where:
bonds (distance) C4'-P energy: -32.103
bonds (distance) P-C4' energy: -36.722
flat angles C4'-P-C4' energy: -37.626
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -16.367
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: 49
Temperature: 1.350000
Total energy: -207.019231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.019231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.019231 (E_RNA)
where:
Base-Base interactions energy: -81.759
where: short stacking energy: -69.830
Base-Backbone interact. energy: -0.968
local terms energy: -124.291945
where:
bonds (distance) C4'-P energy: -28.051
bonds (distance) P-C4' energy: -38.369
flat angles C4'-P-C4' energy: -31.618
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -4.364
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: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -738.358131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.358131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.358131 (E_RNA)
where:
Base-Base interactions energy: -513.029
where: short stacking energy: -221.948
Base-Backbone interact. energy: -0.480
local terms energy: -224.848772
where:
bonds (distance) C4'-P energy: -37.532
bonds (distance) P-C4' energy: -43.093
flat angles C4'-P-C4' energy: -53.070
flat angles P-C4'-P energy: -33.301
tors. eta vs tors. theta energy: -57.854
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: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -674.698989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.698989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.698989 (E_RNA)
where:
Base-Base interactions energy: -437.010
where: short stacking energy: -205.790
Base-Backbone interact. energy: 0.790
local terms energy: -238.479272
where:
bonds (distance) C4'-P energy: -47.769
bonds (distance) P-C4' energy: -43.449
flat angles C4'-P-C4' energy: -48.448
flat angles P-C4'-P energy: -34.639
tors. eta vs tors. theta energy: -64.175
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: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -652.946405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.946405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.946405 (E_RNA)
where:
Base-Base interactions energy: -443.859
where: short stacking energy: -186.158
Base-Backbone interact. energy: -1.209
local terms energy: -207.877985
where:
bonds (distance) C4'-P energy: -34.506
bonds (distance) P-C4' energy: -45.442
flat angles C4'-P-C4' energy: -49.553
flat angles P-C4'-P energy: -29.817
tors. eta vs tors. theta energy: -48.560
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: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -626.451233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.451233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.451233 (E_RNA)
where:
Base-Base interactions energy: -429.562
where: short stacking energy: -197.288
Base-Backbone interact. energy: -0.676
local terms energy: -196.213686
where:
bonds (distance) C4'-P energy: -39.184
bonds (distance) P-C4' energy: -43.735
flat angles C4'-P-C4' energy: -39.198
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -53.610
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: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -555.986380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.986380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.986380 (E_RNA)
where:
Base-Base interactions energy: -363.812
where: short stacking energy: -159.644
Base-Backbone interact. energy: -1.054
local terms energy: -191.120491
where:
bonds (distance) C4'-P energy: -40.654
bonds (distance) P-C4' energy: -32.718
flat angles C4'-P-C4' energy: -41.817
flat angles P-C4'-P energy: -31.984
tors. eta vs tors. theta energy: -43.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -513.157837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.157837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.157837 (E_RNA)
where:
Base-Base interactions energy: -335.808
where: short stacking energy: -148.425
Base-Backbone interact. energy: -1.826
local terms energy: -175.523390
where:
bonds (distance) C4'-P energy: -44.334
bonds (distance) P-C4' energy: -42.713
flat angles C4'-P-C4' energy: -38.825
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -25.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -439.815559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.815559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.815559 (E_RNA)
where:
Base-Base interactions energy: -274.356
where: short stacking energy: -127.785
Base-Backbone interact. energy: -0.552
local terms energy: -164.908174
where:
bonds (distance) C4'-P energy: -36.320
bonds (distance) P-C4' energy: -41.159
flat angles C4'-P-C4' energy: -33.074
flat angles P-C4'-P energy: -24.596
tors. eta vs tors. theta energy: -29.760
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: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -356.387935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.387935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.387935 (E_RNA)
where:
Base-Base interactions energy: -215.254
where: short stacking energy: -97.194
Base-Backbone interact. energy: 0.045
local terms energy: -141.179215
where:
bonds (distance) C4'-P energy: -40.682
bonds (distance) P-C4' energy: -41.586
flat angles C4'-P-C4' energy: -30.164
flat angles P-C4'-P energy: -19.207
tors. eta vs tors. theta energy: -9.539
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: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -274.036627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.036627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.036627 (E_RNA)
where:
Base-Base interactions energy: -148.622
where: short stacking energy: -89.176
Base-Backbone interact. energy: -0.974
local terms energy: -124.441060
where:
bonds (distance) C4'-P energy: -30.344
bonds (distance) P-C4' energy: -43.390
flat angles C4'-P-C4' energy: -31.946
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -195.262626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.262626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.262626 (E_RNA)
where:
Base-Base interactions energy: -52.306
where: short stacking energy: -47.635
Base-Backbone interact. energy: -2.252
local terms energy: -140.704912
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -37.792
flat angles C4'-P-C4' energy: -38.361
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -3.913
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: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -741.943742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.943742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.943742 (E_RNA)
where:
Base-Base interactions energy: -525.015
where: short stacking energy: -217.292
Base-Backbone interact. energy: -0.219
local terms energy: -216.709740
where:
bonds (distance) C4'-P energy: -39.888
bonds (distance) P-C4' energy: -40.464
flat angles C4'-P-C4' energy: -50.535
flat angles P-C4'-P energy: -30.535
tors. eta vs tors. theta energy: -55.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -674.813525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.813525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.813525 (E_RNA)
where:
Base-Base interactions energy: -452.925
where: short stacking energy: -216.623
Base-Backbone interact. energy: -0.506
local terms energy: -221.382792
where:
bonds (distance) C4'-P energy: -46.390
bonds (distance) P-C4' energy: -36.631
flat angles C4'-P-C4' energy: -45.514
flat angles P-C4'-P energy: -33.191
tors. eta vs tors. theta energy: -59.657
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: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -686.717800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.717800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.717800 (E_RNA)
where:
Base-Base interactions energy: -459.259
where: short stacking energy: -208.511
Base-Backbone interact. energy: -0.086
local terms energy: -227.371881
where:
bonds (distance) C4'-P energy: -39.182
bonds (distance) P-C4' energy: -49.755
flat angles C4'-P-C4' energy: -46.183
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: -54.353
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: 51
Temperature: 1.050000
Total energy: -645.443681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.443681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.443681 (E_RNA)
where:
Base-Base interactions energy: -429.804
where: short stacking energy: -191.873
Base-Backbone interact. energy: -0.437
local terms energy: -215.203246
where:
bonds (distance) C4'-P energy: -41.385
bonds (distance) P-C4' energy: -45.090
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -56.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -570.702520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.702520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.702520 (E_RNA)
where:
Base-Base interactions energy: -379.800
where: short stacking energy: -168.851
Base-Backbone interact. energy: -0.612
local terms energy: -190.290166
where:
bonds (distance) C4'-P energy: -42.177
bonds (distance) P-C4' energy: -43.744
flat angles C4'-P-C4' energy: -39.977
flat angles P-C4'-P energy: -23.353
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: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -517.826995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.826995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.826995 (E_RNA)
where:
Base-Base interactions energy: -333.245
where: short stacking energy: -159.824
Base-Backbone interact. energy: -1.055
local terms energy: -183.527243
where:
bonds (distance) C4'-P energy: -32.150
bonds (distance) P-C4' energy: -41.239
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -18.329
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: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -447.692114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.692114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.692114 (E_RNA)
where:
Base-Base interactions energy: -284.352
where: short stacking energy: -140.659
Base-Backbone interact. energy: -0.947
local terms energy: -162.392941
where:
bonds (distance) C4'-P energy: -36.606
bonds (distance) P-C4' energy: -35.028
flat angles C4'-P-C4' energy: -41.707
flat angles P-C4'-P energy: -28.236
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -370.859031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.859031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.859031 (E_RNA)
where:
Base-Base interactions energy: -211.811
where: short stacking energy: -109.302
Base-Backbone interact. energy: -0.419
local terms energy: -158.628674
where:
bonds (distance) C4'-P energy: -38.663
bonds (distance) P-C4' energy: -34.508
flat angles C4'-P-C4' energy: -44.862
flat angles P-C4'-P energy: -19.902
tors. eta vs tors. theta energy: -20.694
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: 8
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -278.529008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.529008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.529008 (E_RNA)
where:
Base-Base interactions energy: -140.860
where: short stacking energy: -86.335
Base-Backbone interact. energy: -1.510
local terms energy: -136.159164
where:
bonds (distance) C4'-P energy: -27.490
bonds (distance) P-C4' energy: -42.942
flat angles C4'-P-C4' energy: -44.325
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -2.638
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: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -204.893405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.893405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.893405 (E_RNA)
where:
Base-Base interactions energy: -66.447
where: short stacking energy: -58.732
Base-Backbone interact. energy: -0.513
local terms energy: -137.933257
where:
bonds (distance) C4'-P energy: -34.948
bonds (distance) P-C4' energy: -43.070
flat angles C4'-P-C4' energy: -27.288
flat angles P-C4'-P energy: -32.771
tors. eta vs tors. theta energy: 0.144
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: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -735.412665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.412665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.412665 (E_RNA)
where:
Base-Base interactions energy: -506.248
where: short stacking energy: -207.736
Base-Backbone interact. energy: -0.858
local terms energy: -228.306018
where:
bonds (distance) C4'-P energy: -46.356
bonds (distance) P-C4' energy: -46.235
flat angles C4'-P-C4' energy: -44.026
flat angles P-C4'-P energy: -31.721
tors. eta vs tors. theta energy: -59.968
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: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -683.717734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.717734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.717734 (E_RNA)
where:
Base-Base interactions energy: -462.304
where: short stacking energy: -218.003
Base-Backbone interact. energy: -0.943
local terms energy: -220.470437
where:
bonds (distance) C4'-P energy: -40.547
bonds (distance) P-C4' energy: -47.490
flat angles C4'-P-C4' energy: -44.964
flat angles P-C4'-P energy: -32.328
tors. eta vs tors. theta energy: -55.142
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: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -678.919571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.919571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.919571 (E_RNA)
where:
Base-Base interactions energy: -459.820
where: short stacking energy: -190.149
Base-Backbone interact. energy: -1.329
local terms energy: -217.770303
where:
bonds (distance) C4'-P energy: -49.887
bonds (distance) P-C4' energy: -33.674
flat angles C4'-P-C4' energy: -45.787
flat angles P-C4'-P energy: -33.399
tors. eta vs tors. theta energy: -55.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -643.873367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.873367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.873367 (E_RNA)
where:
Base-Base interactions energy: -429.576
where: short stacking energy: -180.938
Base-Backbone interact. energy: -0.542
local terms energy: -213.754618
where:
bonds (distance) C4'-P energy: -40.542
bonds (distance) P-C4' energy: -43.188
flat angles C4'-P-C4' energy: -45.316
flat angles P-C4'-P energy: -32.124
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: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -594.458686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.458686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.458686 (E_RNA)
where:
Base-Base interactions energy: -403.610
where: short stacking energy: -174.179
Base-Backbone interact. energy: -0.577
local terms energy: -190.271192
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -47.560
flat angles C4'-P-C4' energy: -42.082
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -44.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -524.320070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.320070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.320070 (E_RNA)
where:
Base-Base interactions energy: -355.317
where: short stacking energy: -163.903
Base-Backbone interact. energy: -3.495
local terms energy: -165.508335
where:
bonds (distance) C4'-P energy: -37.206
bonds (distance) P-C4' energy: -34.147
flat angles C4'-P-C4' energy: -38.895
flat angles P-C4'-P energy: -17.494
tors. eta vs tors. theta energy: -37.766
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -449.207961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.207961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.207961 (E_RNA)
where:
Base-Base interactions energy: -290.801
where: short stacking energy: -142.545
Base-Backbone interact. energy: -0.616
local terms energy: -157.790862
where:
bonds (distance) C4'-P energy: -35.925
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -37.098
flat angles P-C4'-P energy: -18.568
tors. eta vs tors. theta energy: -31.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -360.230352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.230352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.230352 (E_RNA)
where:
Base-Base interactions energy: -210.623
where: short stacking energy: -108.444
Base-Backbone interact. energy: 2.232
local terms energy: -151.839340
where:
bonds (distance) C4'-P energy: -25.159
bonds (distance) P-C4' energy: -40.202
flat angles C4'-P-C4' energy: -32.155
flat angles P-C4'-P energy: -27.695
tors. eta vs tors. theta energy: -26.629
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: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -286.762425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.762425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.762425 (E_RNA)
where:
Base-Base interactions energy: -134.871
where: short stacking energy: -78.071
Base-Backbone interact. energy: -1.327
local terms energy: -150.564286
where:
bonds (distance) C4'-P energy: -37.553
bonds (distance) P-C4' energy: -47.900
flat angles C4'-P-C4' energy: -36.464
flat angles P-C4'-P energy: -29.739
tors. eta vs tors. theta energy: 1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -218.650510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.650510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.650510 (E_RNA)
where:
Base-Base interactions energy: -90.201
where: short stacking energy: -87.027
Base-Backbone interact. energy: -0.298
local terms energy: -128.151535
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -42.643
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -5.434
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: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -728.635987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.635987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.635987 (E_RNA)
where:
Base-Base interactions energy: -497.242
where: short stacking energy: -210.112
Base-Backbone interact. energy: -1.074
local terms energy: -230.319077
where:
bonds (distance) C4'-P energy: -46.145
bonds (distance) P-C4' energy: -42.654
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -37.049
tors. eta vs tors. theta energy: -60.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -702.420494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.420494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.420494 (E_RNA)
where:
Base-Base interactions energy: -481.972
where: short stacking energy: -218.288
Base-Backbone interact. energy: -0.407
local terms energy: -220.041167
where:
bonds (distance) C4'-P energy: -39.341
bonds (distance) P-C4' energy: -43.742
flat angles C4'-P-C4' energy: -45.272
flat angles P-C4'-P energy: -36.272
tors. eta vs tors. theta energy: -55.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -672.712659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.712659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.712659 (E_RNA)
where:
Base-Base interactions energy: -463.059
where: short stacking energy: -196.765
Base-Backbone interact. energy: -0.659
local terms energy: -208.994759
where:
bonds (distance) C4'-P energy: -40.834
bonds (distance) P-C4' energy: -43.117
flat angles C4'-P-C4' energy: -42.589
flat angles P-C4'-P energy: -28.799
tors. eta vs tors. theta energy: -53.656
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: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -680.225412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.225412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.225412 (E_RNA)
where:
Base-Base interactions energy: -462.766
where: short stacking energy: -209.835
Base-Backbone interact. energy: -1.436
local terms energy: -216.023718
where:
bonds (distance) C4'-P energy: -43.329
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -43.933
flat angles P-C4'-P energy: -28.986
tors. eta vs tors. theta energy: -61.225
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: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -599.376409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.376409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.376409 (E_RNA)
where:
Base-Base interactions energy: -406.197
where: short stacking energy: -179.421
Base-Backbone interact. energy: 0.020
local terms energy: -193.199435
where:
bonds (distance) C4'-P energy: -37.133
bonds (distance) P-C4' energy: -29.483
flat angles C4'-P-C4' energy: -45.169
flat angles P-C4'-P energy: -32.075
tors. eta vs tors. theta energy: -49.339
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: 53
Temperature: 1.150000
Total energy: -538.877713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.877713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.877713 (E_RNA)
where:
Base-Base interactions energy: -336.607
where: short stacking energy: -150.135
Base-Backbone interact. energy: -2.434
local terms energy: -199.837222
where:
bonds (distance) C4'-P energy: -44.845
bonds (distance) P-C4' energy: -42.734
flat angles C4'-P-C4' energy: -38.441
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -35.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -452.216141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.216141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.216141 (E_RNA)
where:
Base-Base interactions energy: -287.553
where: short stacking energy: -140.760
Base-Backbone interact. energy: -0.057
local terms energy: -164.606615
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -37.719
flat angles C4'-P-C4' energy: -43.833
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -30.843
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: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -400.138609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.138609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.138609 (E_RNA)
where:
Base-Base interactions energy: -243.239
where: short stacking energy: -110.006
Base-Backbone interact. energy: 2.033
local terms energy: -158.933431
where:
bonds (distance) C4'-P energy: -40.325
bonds (distance) P-C4' energy: -37.318
flat angles C4'-P-C4' energy: -39.882
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -268.533463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.533463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.533463 (E_RNA)
where:
Base-Base interactions energy: -145.939
where: short stacking energy: -68.819
Base-Backbone interact. energy: 2.438
local terms energy: -125.033161
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -34.923
flat angles C4'-P-C4' energy: -23.288
flat angles P-C4'-P energy: -25.774
tors. eta vs tors. theta energy: -10.001
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: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -186.791792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.791792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.791792 (E_RNA)
where:
Base-Base interactions energy: -83.364
where: short stacking energy: -76.725
Base-Backbone interact. energy: -0.431
local terms energy: -102.996712
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: 0.400
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: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -723.944158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.944158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.944158 (E_RNA)
where:
Base-Base interactions energy: -504.003
where: short stacking energy: -219.139
Base-Backbone interact. energy: -0.554
local terms energy: -219.386645
where:
bonds (distance) C4'-P energy: -38.574
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -47.626
flat angles P-C4'-P energy: -29.367
tors. eta vs tors. theta energy: -58.436
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -683.294441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.294441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.294441 (E_RNA)
where:
Base-Base interactions energy: -457.986
where: short stacking energy: -211.886
Base-Backbone interact. energy: 0.144
local terms energy: -225.453163
where:
bonds (distance) C4'-P energy: -43.110
bonds (distance) P-C4' energy: -44.620
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -32.263
tors. eta vs tors. theta energy: -55.099
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: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -688.393220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.393220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.393220 (E_RNA)
where:
Base-Base interactions energy: -467.003
where: short stacking energy: -211.554
Base-Backbone interact. energy: -2.998
local terms energy: -218.392748
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -43.895
flat angles C4'-P-C4' energy: -47.599
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -58.148
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: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -704.252386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.252386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.252386 (E_RNA)
where:
Base-Base interactions energy: -480.666
where: short stacking energy: -198.146
Base-Backbone interact. energy: 2.203
local terms energy: -225.789239
where:
bonds (distance) C4'-P energy: -34.653
bonds (distance) P-C4' energy: -52.299
flat angles C4'-P-C4' energy: -46.395
flat angles P-C4'-P energy: -39.638
tors. eta vs tors. theta energy: -52.803
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: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -593.632188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.632188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.632188 (E_RNA)
where:
Base-Base interactions energy: -403.824
where: short stacking energy: -169.753
Base-Backbone interact. energy: -1.600
local terms energy: -188.207929
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -47.461
flat angles C4'-P-C4' energy: -40.110
flat angles P-C4'-P energy: -28.326
tors. eta vs tors. theta energy: -45.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -508.098867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.098867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.098867 (E_RNA)
where:
Base-Base interactions energy: -318.754
where: short stacking energy: -148.897
Base-Backbone interact. energy: -2.804
local terms energy: -186.540842
where:
bonds (distance) C4'-P energy: -38.450
bonds (distance) P-C4' energy: -38.303
flat angles C4'-P-C4' energy: -48.195
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -38.746
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: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -428.827753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.827753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.827753 (E_RNA)
where:
Base-Base interactions energy: -273.459
where: short stacking energy: -123.517
Base-Backbone interact. energy: -1.450
local terms energy: -153.919098
where:
bonds (distance) C4'-P energy: -36.683
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -37.038
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -25.617
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: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -448.462013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.462013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.462013 (E_RNA)
where:
Base-Base interactions energy: -284.816
where: short stacking energy: -139.221
Base-Backbone interact. energy: -1.459
local terms energy: -162.187429
where:
bonds (distance) C4'-P energy: -40.057
bonds (distance) P-C4' energy: -30.144
flat angles C4'-P-C4' energy: -36.259
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: -33.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -271.679599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.679599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.679599 (E_RNA)
where:
Base-Base interactions energy: -143.248
where: short stacking energy: -85.564
Base-Backbone interact. energy: -0.484
local terms energy: -127.946798
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -34.856
flat angles C4'-P-C4' energy: -33.756
flat angles P-C4'-P energy: -23.936
tors. eta vs tors. theta energy: -9.542
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -198.523866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.523866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.523866 (E_RNA)
where:
Base-Base interactions energy: -60.793
where: short stacking energy: -59.271
Base-Backbone interact. energy: 4.157
local terms energy: -141.888454
where:
bonds (distance) C4'-P energy: -41.064
bonds (distance) P-C4' energy: -37.477
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: -4.744
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: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -732.079544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.079544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.079544 (E_RNA)
where:
Base-Base interactions energy: -506.803
where: short stacking energy: -216.646
Base-Backbone interact. energy: -0.252
local terms energy: -225.024072
where:
bonds (distance) C4'-P energy: -47.800
bonds (distance) P-C4' energy: -39.389
flat angles C4'-P-C4' energy: -47.835
flat angles P-C4'-P energy: -31.811
tors. eta vs tors. theta energy: -58.190
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: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -667.108388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.108388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.108388 (E_RNA)
where:
Base-Base interactions energy: -461.510
where: short stacking energy: -195.572
Base-Backbone interact. energy: -0.868
local terms energy: -204.730759
where:
bonds (distance) C4'-P energy: -40.340
bonds (distance) P-C4' energy: -39.127
flat angles C4'-P-C4' energy: -37.945
flat angles P-C4'-P energy: -35.346
tors. eta vs tors. theta energy: -51.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -674.049523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.049523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.049523 (E_RNA)
where:
Base-Base interactions energy: -452.317
where: short stacking energy: -215.245
Base-Backbone interact. energy: -0.353
local terms energy: -221.379900
where:
bonds (distance) C4'-P energy: -46.163
bonds (distance) P-C4' energy: -36.741
flat angles C4'-P-C4' energy: -46.983
flat angles P-C4'-P energy: -31.993
tors. eta vs tors. theta energy: -59.499
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: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -669.476153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.476153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.476153 (E_RNA)
where:
Base-Base interactions energy: -468.588
where: short stacking energy: -194.948
Base-Backbone interact. energy: 1.623
local terms energy: -202.511290
where:
bonds (distance) C4'-P energy: -29.842
bonds (distance) P-C4' energy: -36.437
flat angles C4'-P-C4' energy: -52.666
flat angles P-C4'-P energy: -30.466
tors. eta vs tors. theta energy: -53.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -619.019648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.019648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.019648 (E_RNA)
where:
Base-Base interactions energy: -402.815
where: short stacking energy: -172.314
Base-Backbone interact. energy: -0.602
local terms energy: -215.602489
where:
bonds (distance) C4'-P energy: -42.903
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -43.443
flat angles P-C4'-P energy: -36.716
tors. eta vs tors. theta energy: -46.898
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: 55
Temperature: 1.150000
Total energy: -511.531169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.531169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.531169 (E_RNA)
where:
Base-Base interactions energy: -329.860
where: short stacking energy: -144.741
Base-Backbone interact. energy: -0.264
local terms energy: -181.406814
where:
bonds (distance) C4'-P energy: -45.524
bonds (distance) P-C4' energy: -38.540
flat angles C4'-P-C4' energy: -41.643
flat angles P-C4'-P energy: -24.858
tors. eta vs tors. theta energy: -30.842
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: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -406.070587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.070587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.070587 (E_RNA)
where:
Base-Base interactions energy: -250.150
where: short stacking energy: -120.365
Base-Backbone interact. energy: -0.419
local terms energy: -155.501854
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -36.756
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -21.535
tors. eta vs tors. theta energy: -12.656
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: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -413.731221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.731221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.731221 (E_RNA)
where:
Base-Base interactions energy: -250.913
where: short stacking energy: -120.872
Base-Backbone interact. energy: 0.623
local terms energy: -163.441481
where:
bonds (distance) C4'-P energy: -33.887
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -41.406
flat angles P-C4'-P energy: -33.861
tors. eta vs tors. theta energy: -23.648
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: 9, replica: 8
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -244.633677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.633677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.633677 (E_RNA)
where:
Base-Base interactions energy: -133.485
where: short stacking energy: -68.648
Base-Backbone interact. energy: -1.029
local terms energy: -110.118888
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -38.447
flat angles C4'-P-C4' energy: -27.585
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: 2.104
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: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -199.529615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.529615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.529615 (E_RNA)
where:
Base-Base interactions energy: -69.570
where: short stacking energy: -54.468
Base-Backbone interact. energy: 1.079
local terms energy: -131.037918
where:
bonds (distance) C4'-P energy: -34.915
bonds (distance) P-C4' energy: -40.848
flat angles C4'-P-C4' energy: -37.788
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -752.089334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.089334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.089334 (E_RNA)
where:
Base-Base interactions energy: -516.260
where: short stacking energy: -219.867
Base-Backbone interact. energy: 0.485
local terms energy: -236.313729
where:
bonds (distance) C4'-P energy: -43.269
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -52.637
flat angles P-C4'-P energy: -35.300
tors. eta vs tors. theta energy: -64.092
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: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -703.798163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.798163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.798163 (E_RNA)
where:
Base-Base interactions energy: -486.474
where: short stacking energy: -202.526
Base-Backbone interact. energy: -0.965
local terms energy: -216.359115
where:
bonds (distance) C4'-P energy: -42.243
bonds (distance) P-C4' energy: -42.703
flat angles C4'-P-C4' energy: -45.197
flat angles P-C4'-P energy: -30.994
tors. eta vs tors. theta energy: -55.222
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: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -682.255587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.255587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.255587 (E_RNA)
where:
Base-Base interactions energy: -478.617
where: short stacking energy: -211.680
Base-Backbone interact. energy: -1.560
local terms energy: -202.078744
where:
bonds (distance) C4'-P energy: -38.838
bonds (distance) P-C4' energy: -32.847
flat angles C4'-P-C4' energy: -47.649
flat angles P-C4'-P energy: -31.993
tors. eta vs tors. theta energy: -50.751
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: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -650.374372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.374372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.374372 (E_RNA)
where:
Base-Base interactions energy: -437.120
where: short stacking energy: -196.819
Base-Backbone interact. energy: -1.858
local terms energy: -211.395839
where:
bonds (distance) C4'-P energy: -41.962
bonds (distance) P-C4' energy: -39.231
flat angles C4'-P-C4' energy: -47.400
flat angles P-C4'-P energy: -28.431
tors. eta vs tors. theta energy: -54.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -636.461928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.461928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.461928 (E_RNA)
where:
Base-Base interactions energy: -427.615
where: short stacking energy: -187.241
Base-Backbone interact. energy: -0.782
local terms energy: -208.065131
where:
bonds (distance) C4'-P energy: -33.338
bonds (distance) P-C4' energy: -40.486
flat angles C4'-P-C4' energy: -43.561
flat angles P-C4'-P energy: -35.483
tors. eta vs tors. theta energy: -55.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -521.888116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.888116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.888116 (E_RNA)
where:
Base-Base interactions energy: -320.971
where: short stacking energy: -146.172
Base-Backbone interact. energy: 0.481
local terms energy: -201.397516
where:
bonds (distance) C4'-P energy: -44.687
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -34.736
tors. eta vs tors. theta energy: -37.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -449.555064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.555064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.555064 (E_RNA)
where:
Base-Base interactions energy: -281.551
where: short stacking energy: -118.447
Base-Backbone interact. energy: -2.122
local terms energy: -165.882111
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -41.772
flat angles C4'-P-C4' energy: -35.865
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -34.222
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: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -425.818895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.818895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.818895 (E_RNA)
where:
Base-Base interactions energy: -270.827
where: short stacking energy: -129.813
Base-Backbone interact. energy: 2.769
local terms energy: -157.761636
where:
bonds (distance) C4'-P energy: -33.886
bonds (distance) P-C4' energy: -35.207
flat angles C4'-P-C4' energy: -37.204
flat angles P-C4'-P energy: -25.027
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: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -211.301502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.301502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.301502 (E_RNA)
where:
Base-Base interactions energy: -84.584
where: short stacking energy: -67.609
Base-Backbone interact. energy: -0.798
local terms energy: -125.919672
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -34.820
flat angles C4'-P-C4' energy: -33.585
flat angles P-C4'-P energy: -24.752
tors. eta vs tors. theta energy: -1.450
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: 8
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -194.528032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.528032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.528032 (E_RNA)
where:
Base-Base interactions energy: -74.972
where: short stacking energy: -57.715
Base-Backbone interact. energy: -0.999
local terms energy: -118.557038
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: 4.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -736.630613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.630613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.630613 (E_RNA)
where:
Base-Base interactions energy: -495.970
where: short stacking energy: -210.035
Base-Backbone interact. energy: 0.583
local terms energy: -241.243597
where:
bonds (distance) C4'-P energy: -48.207
bonds (distance) P-C4' energy: -53.417
flat angles C4'-P-C4' energy: -48.697
flat angles P-C4'-P energy: -33.581
tors. eta vs tors. theta energy: -57.342
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: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -698.537714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.537714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.537714 (E_RNA)
where:
Base-Base interactions energy: -484.723
where: short stacking energy: -209.637
Base-Backbone interact. energy: -3.888
local terms energy: -209.926739
where:
bonds (distance) C4'-P energy: -34.224
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -44.357
flat angles P-C4'-P energy: -27.223
tors. eta vs tors. theta energy: -59.795
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: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -693.804392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.804392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.804392 (E_RNA)
where:
Base-Base interactions energy: -485.302
where: short stacking energy: -206.864
Base-Backbone interact. energy: 0.982
local terms energy: -209.484272
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -39.107
flat angles C4'-P-C4' energy: -43.750
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -51.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -647.390316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.390316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.390316 (E_RNA)
where:
Base-Base interactions energy: -437.259
where: short stacking energy: -186.287
Base-Backbone interact. energy: -1.466
local terms energy: -208.664796
where:
bonds (distance) C4'-P energy: -38.024
bonds (distance) P-C4' energy: -38.090
flat angles C4'-P-C4' energy: -46.778
flat angles P-C4'-P energy: -32.494
tors. eta vs tors. theta energy: -53.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -640.127769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.127769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.127769 (E_RNA)
where:
Base-Base interactions energy: -423.630
where: short stacking energy: -183.185
Base-Backbone interact. energy: -0.348
local terms energy: -216.148857
where:
bonds (distance) C4'-P energy: -42.306
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -44.062
flat angles P-C4'-P energy: -35.796
tors. eta vs tors. theta energy: -53.259
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: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -511.298242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.298242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.298242 (E_RNA)
where:
Base-Base interactions energy: -345.336
where: short stacking energy: -159.657
Base-Backbone interact. energy: -1.810
local terms energy: -164.151676
where:
bonds (distance) C4'-P energy: -33.147
bonds (distance) P-C4' energy: -35.605
flat angles C4'-P-C4' energy: -37.060
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -41.780
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: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -436.831773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.831773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.831773 (E_RNA)
where:
Base-Base interactions energy: -269.443
where: short stacking energy: -129.138
Base-Backbone interact. energy: -1.107
local terms energy: -166.281860
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -41.103
flat angles C4'-P-C4' energy: -42.738
flat angles P-C4'-P energy: -23.537
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: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -438.608089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.608089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.608089 (E_RNA)
where:
Base-Base interactions energy: -276.100
where: short stacking energy: -127.397
Base-Backbone interact. energy: 0.368
local terms energy: -162.875281
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -43.382
flat angles C4'-P-C4' energy: -33.394
flat angles P-C4'-P energy: -24.036
tors. eta vs tors. theta energy: -28.573
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: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -214.267751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.267751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.267751 (E_RNA)
where:
Base-Base interactions energy: -100.735
where: short stacking energy: -69.633
Base-Backbone interact. energy: 1.911
local terms energy: -115.443835
where:
bonds (distance) C4'-P energy: -29.340
bonds (distance) P-C4' energy: -34.308
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: 0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -203.922724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.922724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.922724 (E_RNA)
where:
Base-Base interactions energy: -65.600
where: short stacking energy: -52.354
Base-Backbone interact. energy: -1.040
local terms energy: -137.282607
where:
bonds (distance) C4'-P energy: -36.561
bonds (distance) P-C4' energy: -42.287
flat angles C4'-P-C4' energy: -36.514
flat angles P-C4'-P energy: -23.053
tors. eta vs tors. theta energy: 1.132
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: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -721.211992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.211992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.211992 (E_RNA)
where:
Base-Base interactions energy: -489.751
where: short stacking energy: -205.442
Base-Backbone interact. energy: -0.114
local terms energy: -231.347067
where:
bonds (distance) C4'-P energy: -47.400
bonds (distance) P-C4' energy: -40.985
flat angles C4'-P-C4' energy: -49.056
flat angles P-C4'-P energy: -36.316
tors. eta vs tors. theta energy: -57.591
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: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -721.928580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.928580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.928580 (E_RNA)
where:
Base-Base interactions energy: -497.110
where: short stacking energy: -191.044
Base-Backbone interact. energy: -1.246
local terms energy: -223.572508
where:
bonds (distance) C4'-P energy: -46.444
bonds (distance) P-C4' energy: -39.031
flat angles C4'-P-C4' energy: -47.330
flat angles P-C4'-P energy: -30.532
tors. eta vs tors. theta energy: -60.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -659.392533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.392533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.392533 (E_RNA)
where:
Base-Base interactions energy: -438.485
where: short stacking energy: -191.494
Base-Backbone interact. energy: 0.855
local terms energy: -221.763205
where:
bonds (distance) C4'-P energy: -43.275
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -40.082
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -61.734
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: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -672.739346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.739346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.739346 (E_RNA)
where:
Base-Base interactions energy: -463.389
where: short stacking energy: -192.772
Base-Backbone interact. energy: -0.719
local terms energy: -208.631712
where:
bonds (distance) C4'-P energy: -37.145
bonds (distance) P-C4' energy: -43.335
flat angles C4'-P-C4' energy: -45.743
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: -48.718
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: 5, replica: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -596.097157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.097157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.097157 (E_RNA)
where:
Base-Base interactions energy: -383.257
where: short stacking energy: -169.118
Base-Backbone interact. energy: -0.222
local terms energy: -212.617901
where:
bonds (distance) C4'-P energy: -42.191
bonds (distance) P-C4' energy: -47.116
flat angles C4'-P-C4' energy: -46.552
flat angles P-C4'-P energy: -28.798
tors. eta vs tors. theta energy: -47.961
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: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -520.222969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.222969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.222969 (E_RNA)
where:
Base-Base interactions energy: -352.671
where: short stacking energy: -148.026
Base-Backbone interact. energy: -1.028
local terms energy: -166.524841
where:
bonds (distance) C4'-P energy: -41.180
bonds (distance) P-C4' energy: -33.013
flat angles C4'-P-C4' energy: -36.822
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -31.631
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: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -495.051873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.051873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.051873 (E_RNA)
where:
Base-Base interactions energy: -313.653
where: short stacking energy: -165.785
Base-Backbone interact. energy: -1.142
local terms energy: -180.257356
where:
bonds (distance) C4'-P energy: -32.297
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -36.839
tors. eta vs tors. theta energy: -42.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -400.406304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.406304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.406304 (E_RNA)
where:
Base-Base interactions energy: -243.588
where: short stacking energy: -115.109
Base-Backbone interact. energy: 0.891
local terms energy: -157.709919
where:
bonds (distance) C4'-P energy: -39.486
bonds (distance) P-C4' energy: -40.444
flat angles C4'-P-C4' energy: -32.835
flat angles P-C4'-P energy: -24.424
tors. eta vs tors. theta energy: -20.522
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: 9, replica: 8
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -206.771126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.771126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.771126 (E_RNA)
where:
Base-Base interactions energy: -87.197
where: short stacking energy: -64.909
Base-Backbone interact. energy: -0.700
local terms energy: -118.873771
where:
bonds (distance) C4'-P energy: -34.695
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -3.972
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: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -204.371405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.371405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.371405 (E_RNA)
where:
Base-Base interactions energy: -75.763
where: short stacking energy: -60.908
Base-Backbone interact. energy: -2.689
local terms energy: -125.919321
where:
bonds (distance) C4'-P energy: -39.243
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -30.201
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: 1.995
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: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -743.534350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.534350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.534350 (E_RNA)
where:
Base-Base interactions energy: -509.560
where: short stacking energy: -214.955
Base-Backbone interact. energy: -2.383
local terms energy: -231.590585
where:
bonds (distance) C4'-P energy: -46.696
bonds (distance) P-C4' energy: -45.089
flat angles C4'-P-C4' energy: -47.147
flat angles P-C4'-P energy: -32.870
tors. eta vs tors. theta energy: -59.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -730.411363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.411363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.411363 (E_RNA)
where:
Base-Base interactions energy: -506.424
where: short stacking energy: -201.350
Base-Backbone interact. energy: -0.633
local terms energy: -223.354922
where:
bonds (distance) C4'-P energy: -46.617
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -47.954
flat angles P-C4'-P energy: -26.102
tors. eta vs tors. theta energy: -62.992
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: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -674.509412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.509412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.509412 (E_RNA)
where:
Base-Base interactions energy: -460.066
where: short stacking energy: -224.300
Base-Backbone interact. energy: 0.667
local terms energy: -215.110502
where:
bonds (distance) C4'-P energy: -31.879
bonds (distance) P-C4' energy: -37.828
flat angles C4'-P-C4' energy: -52.028
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -63.733
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: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -677.133513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.133513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.133513 (E_RNA)
where:
Base-Base interactions energy: -477.675
where: short stacking energy: -207.854
Base-Backbone interact. energy: 3.024
local terms energy: -202.482599
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -32.371
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -62.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -600.600954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.600954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.600954 (E_RNA)
where:
Base-Base interactions energy: -388.446
where: short stacking energy: -177.515
Base-Backbone interact. energy: -0.896
local terms energy: -211.258970
where:
bonds (distance) C4'-P energy: -38.596
bonds (distance) P-C4' energy: -41.660
flat angles C4'-P-C4' energy: -48.086
flat angles P-C4'-P energy: -34.239
tors. eta vs tors. theta energy: -48.678
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: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -520.270519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.270519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.270519 (E_RNA)
where:
Base-Base interactions energy: -347.976
where: short stacking energy: -160.350
Base-Backbone interact. energy: -0.395
local terms energy: -171.899939
where:
bonds (distance) C4'-P energy: -34.956
bonds (distance) P-C4' energy: -30.456
flat angles C4'-P-C4' energy: -45.217
flat angles P-C4'-P energy: -25.275
tors. eta vs tors. theta energy: -35.997
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: 59
Temperature: 1.200000
Total energy: -473.069478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.069478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.069478 (E_RNA)
where:
Base-Base interactions energy: -291.281
where: short stacking energy: -146.373
Base-Backbone interact. energy: -1.066
local terms energy: -180.722891
where:
bonds (distance) C4'-P energy: -41.162
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -36.519
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -38.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -422.075476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.075476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.075476 (E_RNA)
where:
Base-Base interactions energy: -268.081
where: short stacking energy: -112.853
Base-Backbone interact. energy: -0.793
local terms energy: -153.201584
where:
bonds (distance) C4'-P energy: -19.362
bonds (distance) P-C4' energy: -40.152
flat angles C4'-P-C4' energy: -45.706
flat angles P-C4'-P energy: -18.578
tors. eta vs tors. theta energy: -29.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -265.099256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.099256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.099256 (E_RNA)
where:
Base-Base interactions energy: -129.737
where: short stacking energy: -82.772
Base-Backbone interact. energy: 0.151
local terms energy: -135.512614
where:
bonds (distance) C4'-P energy: -38.084
bonds (distance) P-C4' energy: -42.758
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -11.331
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: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -193.235910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.235910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.235910 (E_RNA)
where:
Base-Base interactions energy: -75.876
where: short stacking energy: -63.295
Base-Backbone interact. energy: 2.345
local terms energy: -119.704988
where:
bonds (distance) C4'-P energy: -35.485
bonds (distance) P-C4' energy: -30.540
flat angles C4'-P-C4' energy: -30.903
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -5.386
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: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -732.652272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.652272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.652272 (E_RNA)
where:
Base-Base interactions energy: -507.508
where: short stacking energy: -228.524
Base-Backbone interact. energy: -0.947
local terms energy: -224.197849
where:
bonds (distance) C4'-P energy: -36.598
bonds (distance) P-C4' energy: -40.231
flat angles C4'-P-C4' energy: -48.535
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: -68.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -735.608074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.608074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.608074 (E_RNA)
where:
Base-Base interactions energy: -509.599
where: short stacking energy: -210.077
Base-Backbone interact. energy: -2.058
local terms energy: -223.951875
where:
bonds (distance) C4'-P energy: -41.877
bonds (distance) P-C4' energy: -38.564
flat angles C4'-P-C4' energy: -50.684
flat angles P-C4'-P energy: -37.504
tors. eta vs tors. theta energy: -55.323
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: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -696.710130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.710130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.710130 (E_RNA)
where:
Base-Base interactions energy: -469.585
where: short stacking energy: -202.695
Base-Backbone interact. energy: 0.372
local terms energy: -227.497464
where:
bonds (distance) C4'-P energy: -50.192
bonds (distance) P-C4' energy: -43.220
flat angles C4'-P-C4' energy: -43.308
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -55.286
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: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -645.758756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.758756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.758756 (E_RNA)
where:
Base-Base interactions energy: -427.123
where: short stacking energy: -194.768
Base-Backbone interact. energy: -1.637
local terms energy: -216.998975
where:
bonds (distance) C4'-P energy: -43.782
bonds (distance) P-C4' energy: -39.293
flat angles C4'-P-C4' energy: -43.680
flat angles P-C4'-P energy: -30.335
tors. eta vs tors. theta energy: -59.909
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: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -538.537070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.537070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.537070 (E_RNA)
where:
Base-Base interactions energy: -359.332
where: short stacking energy: -157.458
Base-Backbone interact. energy: 3.787
local terms energy: -182.991716
where:
bonds (distance) C4'-P energy: -36.876
bonds (distance) P-C4' energy: -42.400
flat angles C4'-P-C4' energy: -42.781
flat angles P-C4'-P energy: -29.778
tors. eta vs tors. theta energy: -31.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -587.617534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.617534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.617534 (E_RNA)
where:
Base-Base interactions energy: -397.643
where: short stacking energy: -175.816
Base-Backbone interact. energy: 1.430
local terms energy: -191.403944
where:
bonds (distance) C4'-P energy: -33.703
bonds (distance) P-C4' energy: -41.594
flat angles C4'-P-C4' energy: -39.864
flat angles P-C4'-P energy: -20.200
tors. eta vs tors. theta energy: -56.044
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: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -480.735762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.735762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.735762 (E_RNA)
where:
Base-Base interactions energy: -308.205
where: short stacking energy: -151.597
Base-Backbone interact. energy: -0.006
local terms energy: -172.524688
where:
bonds (distance) C4'-P energy: -37.639
bonds (distance) P-C4' energy: -30.151
flat angles C4'-P-C4' energy: -41.419
flat angles P-C4'-P energy: -23.211
tors. eta vs tors. theta energy: -40.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -451.310501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.310501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.310501 (E_RNA)
where:
Base-Base interactions energy: -283.303
where: short stacking energy: -140.356
Base-Backbone interact. energy: -0.257
local terms energy: -167.750024
where:
bonds (distance) C4'-P energy: -37.610
bonds (distance) P-C4' energy: -39.331
flat angles C4'-P-C4' energy: -39.305
flat angles P-C4'-P energy: -22.018
tors. eta vs tors. theta energy: -29.486
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: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -226.444283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.444283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.444283 (E_RNA)
where:
Base-Base interactions energy: -94.857
where: short stacking energy: -78.266
Base-Backbone interact. energy: -0.540
local terms energy: -131.047385
where:
bonds (distance) C4'-P energy: -40.490
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -28.816
flat angles P-C4'-P energy: -21.808
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -204.985622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.985622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.985622 (E_RNA)
where:
Base-Base interactions energy: -83.063
where: short stacking energy: -58.022
Base-Backbone interact. energy: 1.621
local terms energy: -123.543159
where:
bonds (distance) C4'-P energy: -34.075
bonds (distance) P-C4' energy: -32.186
flat angles C4'-P-C4' energy: -38.642
flat angles P-C4'-P energy: -21.938
tors. eta vs tors. theta energy: 3.298
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: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -718.370503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.370503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.370503 (E_RNA)
where:
Base-Base interactions energy: -489.070
where: short stacking energy: -205.069
Base-Backbone interact. energy: -0.884
local terms energy: -228.416511
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -53.137
flat angles P-C4'-P energy: -31.015
tors. eta vs tors. theta energy: -64.950
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: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -726.194192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.194192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.194192 (E_RNA)
where:
Base-Base interactions energy: -487.569
where: short stacking energy: -207.411
Base-Backbone interact. energy: -0.799
local terms energy: -237.826528
where:
bonds (distance) C4'-P energy: -47.490
bonds (distance) P-C4' energy: -44.209
flat angles C4'-P-C4' energy: -53.927
flat angles P-C4'-P energy: -34.886
tors. eta vs tors. theta energy: -57.314
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: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -708.198528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.198528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.198528 (E_RNA)
where:
Base-Base interactions energy: -478.326
where: short stacking energy: -201.788
Base-Backbone interact. energy: 0.495
local terms energy: -230.367335
where:
bonds (distance) C4'-P energy: -44.820
bonds (distance) P-C4' energy: -45.412
flat angles C4'-P-C4' energy: -46.025
flat angles P-C4'-P energy: -32.454
tors. eta vs tors. theta energy: -61.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -664.296496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.296496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.296496 (E_RNA)
where:
Base-Base interactions energy: -449.549
where: short stacking energy: -210.915
Base-Backbone interact. energy: -0.227
local terms energy: -214.520524
where:
bonds (distance) C4'-P energy: -42.536
bonds (distance) P-C4' energy: -33.168
flat angles C4'-P-C4' energy: -49.553
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -59.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -527.886344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.886344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.886344 (E_RNA)
where:
Base-Base interactions energy: -333.603
where: short stacking energy: -157.850
Base-Backbone interact. energy: -2.264
local terms energy: -192.018855
where:
bonds (distance) C4'-P energy: -47.425
bonds (distance) P-C4' energy: -40.781
flat angles C4'-P-C4' energy: -38.568
flat angles P-C4'-P energy: -24.660
tors. eta vs tors. theta energy: -40.586
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: 6, replica: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -597.117793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.117793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.117793 (E_RNA)
where:
Base-Base interactions energy: -400.739
where: short stacking energy: -176.059
Base-Backbone interact. energy: 0.377
local terms energy: -196.755682
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -41.930
flat angles C4'-P-C4' energy: -49.955
flat angles P-C4'-P energy: -34.560
tors. eta vs tors. theta energy: -49.621
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: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -490.535020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.535020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.535020 (E_RNA)
where:
Base-Base interactions energy: -335.882
where: short stacking energy: -143.241
Base-Backbone interact. energy: -0.236
local terms energy: -154.416377
where:
bonds (distance) C4'-P energy: -30.146
bonds (distance) P-C4' energy: -34.140
flat angles C4'-P-C4' energy: -37.054
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -32.773
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: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -455.808180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.808180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.808180 (E_RNA)
where:
Base-Base interactions energy: -279.882
where: short stacking energy: -119.588
Base-Backbone interact. energy: -1.280
local terms energy: -174.645644
where:
bonds (distance) C4'-P energy: -44.567
bonds (distance) P-C4' energy: -45.569
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -26.448
tors. eta vs tors. theta energy: -27.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -226.759527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.759527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.759527 (E_RNA)
where:
Base-Base interactions energy: -101.295
where: short stacking energy: -66.584
Base-Backbone interact. energy: -0.760
local terms energy: -124.704409
where:
bonds (distance) C4'-P energy: -37.037
bonds (distance) P-C4' energy: -31.466
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -23.516
tors. eta vs tors. theta energy: -3.748
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: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -190.993853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.993853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.993853 (E_RNA)
where:
Base-Base interactions energy: -69.315
where: short stacking energy: -51.806
Base-Backbone interact. energy: -0.361
local terms energy: -121.317678
where:
bonds (distance) C4'-P energy: -29.600
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -41.730
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: 3.177
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: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -750.000328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.000328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.000328 (E_RNA)
where:
Base-Base interactions energy: -510.145
where: short stacking energy: -219.682
Base-Backbone interact. energy: -0.488
local terms energy: -239.367056
where:
bonds (distance) C4'-P energy: -43.232
bonds (distance) P-C4' energy: -47.022
flat angles C4'-P-C4' energy: -54.322
flat angles P-C4'-P energy: -39.702
tors. eta vs tors. theta energy: -55.089
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: 2, replica: 6
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -711.214175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.214175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.214175 (E_RNA)
where:
Base-Base interactions energy: -490.514
where: short stacking energy: -209.147
Base-Backbone interact. energy: -1.932
local terms energy: -218.768347
where:
bonds (distance) C4'-P energy: -37.153
bonds (distance) P-C4' energy: -44.310
flat angles C4'-P-C4' energy: -43.918
flat angles P-C4'-P energy: -27.918
tors. eta vs tors. theta energy: -65.470
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: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -690.910032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.910032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.910032 (E_RNA)
where:
Base-Base interactions energy: -476.136
where: short stacking energy: -216.027
Base-Backbone interact. energy: -1.553
local terms energy: -213.220629
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -31.590
flat angles C4'-P-C4' energy: -43.453
flat angles P-C4'-P energy: -33.930
tors. eta vs tors. theta energy: -60.372
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: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -661.114796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.114796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.114796 (E_RNA)
where:
Base-Base interactions energy: -444.401
where: short stacking energy: -201.708
Base-Backbone interact. energy: -0.855
local terms energy: -215.858322
where:
bonds (distance) C4'-P energy: -43.690
bonds (distance) P-C4' energy: -34.987
flat angles C4'-P-C4' energy: -51.227
flat angles P-C4'-P energy: -32.226
tors. eta vs tors. theta energy: -53.728
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: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -620.270210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.270210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.270210 (E_RNA)
where:
Base-Base interactions energy: -424.557
where: short stacking energy: -186.640
Base-Backbone interact. energy: 1.930
local terms energy: -197.643489
where:
bonds (distance) C4'-P energy: -35.730
bonds (distance) P-C4' energy: -32.071
flat angles C4'-P-C4' energy: -44.205
flat angles P-C4'-P energy: -29.054
tors. eta vs tors. theta energy: -56.583
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: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -547.259018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.259018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.259018 (E_RNA)
where:
Base-Base interactions energy: -356.913
where: short stacking energy: -160.738
Base-Backbone interact. energy: -3.308
local terms energy: -187.038011
where:
bonds (distance) C4'-P energy: -33.481
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -47.918
flat angles P-C4'-P energy: -28.225
tors. eta vs tors. theta energy: -40.725
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: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -469.030545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.030545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.030545 (E_RNA)
where:
Base-Base interactions energy: -293.915
where: short stacking energy: -136.784
Base-Backbone interact. energy: -1.240
local terms energy: -173.876323
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -40.409
flat angles C4'-P-C4' energy: -31.778
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -39.678
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: 62
Temperature: 1.250000
Total energy: -443.752180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.752180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.752180 (E_RNA)
where:
Base-Base interactions energy: -262.591
where: short stacking energy: -128.285
Base-Backbone interact. energy: -0.705
local terms energy: -180.456159
where:
bonds (distance) C4'-P energy: -40.299
bonds (distance) P-C4' energy: -47.748
flat angles C4'-P-C4' energy: -42.017
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -31.209
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: 62
Temperature: 1.300000
Total energy: -204.828840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.828840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.828840 (E_RNA)
where:
Base-Base interactions energy: -71.761
where: short stacking energy: -53.449
Base-Backbone interact. energy: -0.808
local terms energy: -132.259254
where:
bonds (distance) C4'-P energy: -40.365
bonds (distance) P-C4' energy: -39.516
flat angles C4'-P-C4' energy: -43.903
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: 7.609
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: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -192.589620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.589620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.589620 (E_RNA)
where:
Base-Base interactions energy: -82.080
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.509
local terms energy: -110.000566
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -39.460
flat angles C4'-P-C4' energy: -27.717
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: 6.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -738.082799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.082799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.082799 (E_RNA)
where:
Base-Base interactions energy: -520.736
where: short stacking energy: -207.418
Base-Backbone interact. energy: 0.267
local terms energy: -217.613940
where:
bonds (distance) C4'-P energy: -39.031
bonds (distance) P-C4' energy: -43.689
flat angles C4'-P-C4' energy: -44.946
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -59.028
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: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -712.291779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.291779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.291779 (E_RNA)
where:
Base-Base interactions energy: -490.017
where: short stacking energy: -201.418
Base-Backbone interact. energy: -0.859
local terms energy: -221.415435
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -40.473
flat angles C4'-P-C4' energy: -52.437
flat angles P-C4'-P energy: -33.033
tors. eta vs tors. theta energy: -58.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -682.983255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.983255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.983255 (E_RNA)
where:
Base-Base interactions energy: -464.395
where: short stacking energy: -208.505
Base-Backbone interact. energy: -1.427
local terms energy: -217.161013
where:
bonds (distance) C4'-P energy: -42.174
bonds (distance) P-C4' energy: -41.110
flat angles C4'-P-C4' energy: -55.049
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -54.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -646.474492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.474492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.474492 (E_RNA)
where:
Base-Base interactions energy: -424.775
where: short stacking energy: -185.212
Base-Backbone interact. energy: -0.688
local terms energy: -221.012170
where:
bonds (distance) C4'-P energy: -38.314
bonds (distance) P-C4' energy: -45.547
flat angles C4'-P-C4' energy: -50.632
flat angles P-C4'-P energy: -31.649
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: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -602.746032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.746032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.746032 (E_RNA)
where:
Base-Base interactions energy: -416.215
where: short stacking energy: -171.475
Base-Backbone interact. energy: -2.214
local terms energy: -184.316860
where:
bonds (distance) C4'-P energy: -34.700
bonds (distance) P-C4' energy: -33.701
flat angles C4'-P-C4' energy: -44.289
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -48.133
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: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -519.300237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.300237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.300237 (E_RNA)
where:
Base-Base interactions energy: -346.161
where: short stacking energy: -145.681
Base-Backbone interact. energy: -1.108
local terms energy: -172.031331
where:
bonds (distance) C4'-P energy: -38.995
bonds (distance) P-C4' energy: -34.100
flat angles C4'-P-C4' energy: -36.492
flat angles P-C4'-P energy: -24.907
tors. eta vs tors. theta energy: -37.538
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: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -413.981656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.981656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.981656 (E_RNA)
where:
Base-Base interactions energy: -241.781
where: short stacking energy: -110.687
Base-Backbone interact. energy: 2.652
local terms energy: -174.852888
where:
bonds (distance) C4'-P energy: -41.118
bonds (distance) P-C4' energy: -42.382
flat angles C4'-P-C4' energy: -42.565
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -428.879342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.879342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.879342 (E_RNA)
where:
Base-Base interactions energy: -258.919
where: short stacking energy: -117.946
Base-Backbone interact. energy: -0.634
local terms energy: -169.325918
where:
bonds (distance) C4'-P energy: -33.405
bonds (distance) P-C4' energy: -43.058
flat angles C4'-P-C4' energy: -40.260
flat angles P-C4'-P energy: -32.053
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -208.999562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.999562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.999562 (E_RNA)
where:
Base-Base interactions energy: -93.595
where: short stacking energy: -63.666
Base-Backbone interact. energy: 1.563
local terms energy: -116.966868
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -35.063
flat angles C4'-P-C4' energy: -24.130
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: 6.314
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: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -196.271976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.271976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.271976 (E_RNA)
where:
Base-Base interactions energy: -65.712
where: short stacking energy: -54.640
Base-Backbone interact. energy: -1.033
local terms energy: -129.527446
where:
bonds (distance) C4'-P energy: -37.335
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -22.510
tors. eta vs tors. theta energy: 6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -733.361263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.361263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.361263 (E_RNA)
where:
Base-Base interactions energy: -518.816
where: short stacking energy: -227.399
Base-Backbone interact. energy: -1.496
local terms energy: -213.048902
where:
bonds (distance) C4'-P energy: -42.805
bonds (distance) P-C4' energy: -39.056
flat angles C4'-P-C4' energy: -49.294
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -57.560
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: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -695.832999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.832999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.832999 (E_RNA)
where:
Base-Base interactions energy: -473.527
where: short stacking energy: -193.604
Base-Backbone interact. energy: -2.427
local terms energy: -219.878890
where:
bonds (distance) C4'-P energy: -42.362
bonds (distance) P-C4' energy: -41.089
flat angles C4'-P-C4' energy: -42.157
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -61.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -680.777792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.777792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.777792 (E_RNA)
where:
Base-Base interactions energy: -459.655
where: short stacking energy: -187.335
Base-Backbone interact. energy: -1.099
local terms energy: -220.023958
where:
bonds (distance) C4'-P energy: -46.923
bonds (distance) P-C4' energy: -42.127
flat angles C4'-P-C4' energy: -50.934
flat angles P-C4'-P energy: -28.281
tors. eta vs tors. theta energy: -51.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -643.678124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.678124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.678124 (E_RNA)
where:
Base-Base interactions energy: -426.949
where: short stacking energy: -208.131
Base-Backbone interact. energy: -0.126
local terms energy: -216.603583
where:
bonds (distance) C4'-P energy: -39.192
bonds (distance) P-C4' energy: -35.902
flat angles C4'-P-C4' energy: -47.679
flat angles P-C4'-P energy: -32.209
tors. eta vs tors. theta energy: -61.621
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -622.277128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.277128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.277128 (E_RNA)
where:
Base-Base interactions energy: -420.275
where: short stacking energy: -173.682
Base-Backbone interact. energy: -0.961
local terms energy: -201.041337
where:
bonds (distance) C4'-P energy: -46.852
bonds (distance) P-C4' energy: -38.711
flat angles C4'-P-C4' energy: -42.964
flat angles P-C4'-P energy: -33.038
tors. eta vs tors. theta energy: -39.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -500.487101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.487101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.487101 (E_RNA)
where:
Base-Base interactions energy: -344.136
where: short stacking energy: -143.499
Base-Backbone interact. energy: -0.907
local terms energy: -155.443617
where:
bonds (distance) C4'-P energy: -30.820
bonds (distance) P-C4' energy: -37.480
flat angles C4'-P-C4' energy: -33.245
flat angles P-C4'-P energy: -28.608
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: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -457.352906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.352906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.352906 (E_RNA)
where:
Base-Base interactions energy: -280.212
where: short stacking energy: -132.429
Base-Backbone interact. energy: -0.791
local terms energy: -176.349095
where:
bonds (distance) C4'-P energy: -40.376
bonds (distance) P-C4' energy: -41.900
flat angles C4'-P-C4' energy: -47.108
flat angles P-C4'-P energy: -20.831
tors. eta vs tors. theta energy: -26.135
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: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -380.410512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.410512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.410512 (E_RNA)
where:
Base-Base interactions energy: -220.015
where: short stacking energy: -110.307
Base-Backbone interact. energy: -1.715
local terms energy: -158.680231
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -38.966
flat angles C4'-P-C4' energy: -32.863
flat angles P-C4'-P energy: -26.355
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -208.950924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.950924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.950924 (E_RNA)
where:
Base-Base interactions energy: -78.786
where: short stacking energy: -56.546
Base-Backbone interact. energy: 1.570
local terms energy: -131.734750
where:
bonds (distance) C4'-P energy: -29.192
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -38.551
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: 0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -198.129616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.129616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.129616 (E_RNA)
where:
Base-Base interactions energy: -74.167
where: short stacking energy: -56.104
Base-Backbone interact. energy: -1.270
local terms energy: -122.693168
where:
bonds (distance) C4'-P energy: -38.526
bonds (distance) P-C4' energy: -34.101
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: 3.815
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: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -728.486683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.486683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.486683 (E_RNA)
where:
Base-Base interactions energy: -495.867
where: short stacking energy: -205.651
Base-Backbone interact. energy: -0.758
local terms energy: -231.861926
where:
bonds (distance) C4'-P energy: -43.368
bonds (distance) P-C4' energy: -47.487
flat angles C4'-P-C4' energy: -49.235
flat angles P-C4'-P energy: -37.556
tors. eta vs tors. theta energy: -54.217
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: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -713.813776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.813776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.813776 (E_RNA)
where:
Base-Base interactions energy: -498.333
where: short stacking energy: -208.663
Base-Backbone interact. energy: -1.241
local terms energy: -214.239304
where:
bonds (distance) C4'-P energy: -38.354
bonds (distance) P-C4' energy: -37.950
flat angles C4'-P-C4' energy: -47.299
flat angles P-C4'-P energy: -36.209
tors. eta vs tors. theta energy: -54.427
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: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -717.004448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.004448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.004448 (E_RNA)
where:
Base-Base interactions energy: -491.295
where: short stacking energy: -207.724
Base-Backbone interact. energy: 0.434
local terms energy: -226.142651
where:
bonds (distance) C4'-P energy: -39.466
bonds (distance) P-C4' energy: -43.255
flat angles C4'-P-C4' energy: -50.627
flat angles P-C4'-P energy: -32.856
tors. eta vs tors. theta energy: -59.939
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: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -675.753510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.753510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.753510 (E_RNA)
where:
Base-Base interactions energy: -453.255
where: short stacking energy: -210.295
Base-Backbone interact. energy: -1.441
local terms energy: -221.057230
where:
bonds (distance) C4'-P energy: -44.773
bonds (distance) P-C4' energy: -48.562
flat angles C4'-P-C4' energy: -42.609
flat angles P-C4'-P energy: -25.786
tors. eta vs tors. theta energy: -59.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -620.477944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.477944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.477944 (E_RNA)
where:
Base-Base interactions energy: -430.811
where: short stacking energy: -186.745
Base-Backbone interact. energy: -0.350
local terms energy: -189.317569
where:
bonds (distance) C4'-P energy: -42.009
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -39.289
flat angles P-C4'-P energy: -19.338
tors. eta vs tors. theta energy: -51.986
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: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -467.954969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.954969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.954969 (E_RNA)
where:
Base-Base interactions energy: -286.443
where: short stacking energy: -137.925
Base-Backbone interact. energy: -0.723
local terms energy: -180.789319
where:
bonds (distance) C4'-P energy: -36.948
bonds (distance) P-C4' energy: -45.501
flat angles C4'-P-C4' energy: -39.566
flat angles P-C4'-P energy: -26.304
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: 7, replica: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -498.443127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.443127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.443127 (E_RNA)
where:
Base-Base interactions energy: -328.171
where: short stacking energy: -138.623
Base-Backbone interact. energy: -0.140
local terms energy: -170.132167
where:
bonds (distance) C4'-P energy: -35.993
bonds (distance) P-C4' energy: -38.708
flat angles C4'-P-C4' energy: -41.712
flat angles P-C4'-P energy: -26.193
tors. eta vs tors. theta energy: -27.526
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: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -378.234317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.234317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.234317 (E_RNA)
where:
Base-Base interactions energy: -222.518
where: short stacking energy: -119.885
Base-Backbone interact. energy: -0.498
local terms energy: -155.217774
where:
bonds (distance) C4'-P energy: -37.769
bonds (distance) P-C4' energy: -41.399
flat angles C4'-P-C4' energy: -33.890
flat angles P-C4'-P energy: -23.221
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: 9, replica: 8
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -224.479530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.479530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.479530 (E_RNA)
where:
Base-Base interactions energy: -74.970
where: short stacking energy: -68.344
Base-Backbone interact. energy: -0.789
local terms energy: -148.720341
where:
bonds (distance) C4'-P energy: -36.113
bonds (distance) P-C4' energy: -41.008
flat angles C4'-P-C4' energy: -36.597
flat angles P-C4'-P energy: -26.919
tors. eta vs tors. theta energy: -8.083
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: 65
Temperature: 1.350000
Total energy: -233.815086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.815086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.815086 (E_RNA)
where:
Base-Base interactions energy: -96.234
where: short stacking energy: -94.512
Base-Backbone interact. energy: 4.909
local terms energy: -142.490238
where:
bonds (distance) C4'-P energy: -32.808
bonds (distance) P-C4' energy: -33.741
flat angles C4'-P-C4' energy: -35.410
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -16.958
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: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -719.081570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.081570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.081570 (E_RNA)
where:
Base-Base interactions energy: -482.938
where: short stacking energy: -209.981
Base-Backbone interact. energy: -1.886
local terms energy: -234.257406
where:
bonds (distance) C4'-P energy: -49.075
bonds (distance) P-C4' energy: -48.946
flat angles C4'-P-C4' energy: -46.930
flat angles P-C4'-P energy: -28.730
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: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -725.766659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.766659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.766659 (E_RNA)
where:
Base-Base interactions energy: -482.819
where: short stacking energy: -206.771
Base-Backbone interact. energy: -0.515
local terms energy: -242.432853
where:
bonds (distance) C4'-P energy: -48.460
bonds (distance) P-C4' energy: -52.385
flat angles C4'-P-C4' energy: -49.775
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -58.665
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: 66
Temperature: 1.000000
Total energy: -707.682969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.682969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.682969 (E_RNA)
where:
Base-Base interactions energy: -484.520
where: short stacking energy: -204.109
Base-Backbone interact. energy: -1.108
local terms energy: -222.055320
where:
bonds (distance) C4'-P energy: -38.374
bonds (distance) P-C4' energy: -40.711
flat angles C4'-P-C4' energy: -43.284
flat angles P-C4'-P energy: -39.163
tors. eta vs tors. theta energy: -60.524
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: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -659.052007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.052007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.052007 (E_RNA)
where:
Base-Base interactions energy: -458.407
where: short stacking energy: -222.608
Base-Backbone interact. energy: -0.520
local terms energy: -200.124684
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -37.002
flat angles C4'-P-C4' energy: -45.472
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -59.902
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: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -639.181104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.181104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.181104 (E_RNA)
where:
Base-Base interactions energy: -423.064
where: short stacking energy: -210.719
Base-Backbone interact. energy: -0.901
local terms energy: -215.216668
where:
bonds (distance) C4'-P energy: -43.726
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -49.915
flat angles P-C4'-P energy: -35.334
tors. eta vs tors. theta energy: -55.348
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: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -462.450347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.450347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.450347 (E_RNA)
where:
Base-Base interactions energy: -282.480
where: short stacking energy: -136.049
Base-Backbone interact. energy: 0.667
local terms energy: -180.637903
where:
bonds (distance) C4'-P energy: -34.636
bonds (distance) P-C4' energy: -39.212
flat angles C4'-P-C4' energy: -37.323
flat angles P-C4'-P energy: -28.546
tors. eta vs tors. theta energy: -40.921
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: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -474.177252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.177252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.177252 (E_RNA)
where:
Base-Base interactions energy: -301.070
where: short stacking energy: -135.386
Base-Backbone interact. energy: 2.399
local terms energy: -175.505859
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -32.693
flat angles C4'-P-C4' energy: -40.540
flat angles P-C4'-P energy: -25.184
tors. eta vs tors. theta energy: -33.761
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: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -371.849825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.849825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.849825 (E_RNA)
where:
Base-Base interactions energy: -218.397
where: short stacking energy: -112.475
Base-Backbone interact. energy: -0.284
local terms energy: -153.168586
where:
bonds (distance) C4'-P energy: -39.351
bonds (distance) P-C4' energy: -43.858
flat angles C4'-P-C4' energy: -32.987
flat angles P-C4'-P energy: -21.069
tors. eta vs tors. theta energy: -15.904
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: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -255.905616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.905616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.905616 (E_RNA)
where:
Base-Base interactions energy: -118.824
where: short stacking energy: -64.231
Base-Backbone interact. energy: -1.122
local terms energy: -135.959499
where:
bonds (distance) C4'-P energy: -34.433
bonds (distance) P-C4' energy: -39.206
flat angles C4'-P-C4' energy: -32.382
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -187.831328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.831328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.831328 (E_RNA)
where:
Base-Base interactions energy: -70.156
where: short stacking energy: -65.525
Base-Backbone interact. energy: -0.448
local terms energy: -117.227867
where:
bonds (distance) C4'-P energy: -31.958
bonds (distance) P-C4' energy: -45.423
flat angles C4'-P-C4' energy: -25.199
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: 6.349
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: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -740.269492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.269492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.269492 (E_RNA)
where:
Base-Base interactions energy: -506.194
where: short stacking energy: -220.365
Base-Backbone interact. energy: -0.177
local terms energy: -233.897864
where:
bonds (distance) C4'-P energy: -42.135
bonds (distance) P-C4' energy: -44.983
flat angles C4'-P-C4' energy: -47.669
flat angles P-C4'-P energy: -39.419
tors. eta vs tors. theta energy: -59.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -737.495743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.495743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.495743 (E_RNA)
where:
Base-Base interactions energy: -493.466
where: short stacking energy: -219.203
Base-Backbone interact. energy: 0.998
local terms energy: -245.027160
where:
bonds (distance) C4'-P energy: -45.708
bonds (distance) P-C4' energy: -44.517
flat angles C4'-P-C4' energy: -48.125
flat angles P-C4'-P energy: -37.792
tors. eta vs tors. theta energy: -68.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -693.088809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.088809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.088809 (E_RNA)
where:
Base-Base interactions energy: -473.021
where: short stacking energy: -193.695
Base-Backbone interact. energy: 0.011
local terms energy: -220.079388
where:
bonds (distance) C4'-P energy: -46.465
bonds (distance) P-C4' energy: -34.476
flat angles C4'-P-C4' energy: -49.603
flat angles P-C4'-P energy: -35.074
tors. eta vs tors. theta energy: -54.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -656.416327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.416327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.416327 (E_RNA)
where:
Base-Base interactions energy: -437.402
where: short stacking energy: -199.268
Base-Backbone interact. energy: -0.176
local terms energy: -218.837934
where:
bonds (distance) C4'-P energy: -39.682
bonds (distance) P-C4' energy: -40.514
flat angles C4'-P-C4' energy: -45.785
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -60.423
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: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -616.276077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.276077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.276077 (E_RNA)
where:
Base-Base interactions energy: -421.591
where: short stacking energy: -188.758
Base-Backbone interact. energy: -1.083
local terms energy: -193.602634
where:
bonds (distance) C4'-P energy: -34.649
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -39.601
flat angles P-C4'-P energy: -26.503
tors. eta vs tors. theta energy: -57.149
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: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -518.258863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.258863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.258863 (E_RNA)
where:
Base-Base interactions energy: -334.351
where: short stacking energy: -153.747
Base-Backbone interact. energy: -0.694
local terms energy: -183.214574
where:
bonds (distance) C4'-P energy: -39.830
bonds (distance) P-C4' energy: -40.231
flat angles C4'-P-C4' energy: -39.315
flat angles P-C4'-P energy: -25.846
tors. eta vs tors. theta energy: -37.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -444.346070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.346070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.346070 (E_RNA)
where:
Base-Base interactions energy: -267.830
where: short stacking energy: -135.266
Base-Backbone interact. energy: -0.311
local terms energy: -176.204719
where:
bonds (distance) C4'-P energy: -36.103
bonds (distance) P-C4' energy: -33.861
flat angles C4'-P-C4' energy: -44.778
flat angles P-C4'-P energy: -33.227
tors. eta vs tors. theta energy: -28.235
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: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -272.256200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.256200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.256200 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -82.873
Base-Backbone interact. energy: 0.353
local terms energy: -131.943607
where:
bonds (distance) C4'-P energy: -34.143
bonds (distance) P-C4' energy: -46.270
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -341.653588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.653588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.653588 (E_RNA)
where:
Base-Base interactions energy: -216.237
where: short stacking energy: -96.290
Base-Backbone interact. energy: -0.092
local terms energy: -125.324634
where:
bonds (distance) C4'-P energy: -32.688
bonds (distance) P-C4' energy: -40.851
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -196.692683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.692683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.692683 (E_RNA)
where:
Base-Base interactions energy: -69.164
where: short stacking energy: -51.511
Base-Backbone interact. energy: 1.623
local terms energy: -129.151783
where:
bonds (distance) C4'-P energy: -37.499
bonds (distance) P-C4' energy: -39.714
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: 6.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -729.786965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.786965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.786965 (E_RNA)
where:
Base-Base interactions energy: -505.119
where: short stacking energy: -211.977
Base-Backbone interact. energy: -0.828
local terms energy: -223.840040
where:
bonds (distance) C4'-P energy: -40.652
bonds (distance) P-C4' energy: -45.684
flat angles C4'-P-C4' energy: -47.797
flat angles P-C4'-P energy: -26.115
tors. eta vs tors. theta energy: -63.593
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: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -705.264438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.264438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.264438 (E_RNA)
where:
Base-Base interactions energy: -481.364
where: short stacking energy: -212.790
Base-Backbone interact. energy: 0.006
local terms energy: -223.906904
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -42.401
flat angles C4'-P-C4' energy: -42.290
flat angles P-C4'-P energy: -34.603
tors. eta vs tors. theta energy: -55.456
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: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -672.453006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.453006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.453006 (E_RNA)
where:
Base-Base interactions energy: -455.820
where: short stacking energy: -224.065
Base-Backbone interact. energy: -0.431
local terms energy: -216.202219
where:
bonds (distance) C4'-P energy: -30.652
bonds (distance) P-C4' energy: -39.709
flat angles C4'-P-C4' energy: -48.776
flat angles P-C4'-P energy: -35.777
tors. eta vs tors. theta energy: -61.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -692.293168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.293168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.293168 (E_RNA)
where:
Base-Base interactions energy: -467.286
where: short stacking energy: -209.039
Base-Backbone interact. energy: -1.424
local terms energy: -223.582914
where:
bonds (distance) C4'-P energy: -45.879
bonds (distance) P-C4' energy: -47.503
flat angles C4'-P-C4' energy: -48.687
flat angles P-C4'-P energy: -23.168
tors. eta vs tors. theta energy: -58.345
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: 5, replica: 2
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -602.012986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.012986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.012986 (E_RNA)
where:
Base-Base interactions energy: -382.210
where: short stacking energy: -175.522
Base-Backbone interact. energy: -1.159
local terms energy: -218.644454
where:
bonds (distance) C4'-P energy: -44.473
bonds (distance) P-C4' energy: -44.942
flat angles C4'-P-C4' energy: -47.781
flat angles P-C4'-P energy: -28.288
tors. eta vs tors. theta energy: -53.160
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: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -511.955974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.955974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.955974 (E_RNA)
where:
Base-Base interactions energy: -337.457
where: short stacking energy: -148.318
Base-Backbone interact. energy: -1.037
local terms energy: -173.462874
where:
bonds (distance) C4'-P energy: -41.055
bonds (distance) P-C4' energy: -38.230
flat angles C4'-P-C4' energy: -41.376
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -28.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -447.937955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.937955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.937955 (E_RNA)
where:
Base-Base interactions energy: -279.375
where: short stacking energy: -142.127
Base-Backbone interact. energy: -0.611
local terms energy: -167.952141
where:
bonds (distance) C4'-P energy: -44.658
bonds (distance) P-C4' energy: -32.802
flat angles C4'-P-C4' energy: -41.504
flat angles P-C4'-P energy: -23.398
tors. eta vs tors. theta energy: -25.591
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: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -305.023265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.023265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.023265 (E_RNA)
where:
Base-Base interactions energy: -160.681
where: short stacking energy: -95.943
Base-Backbone interact. energy: -0.416
local terms energy: -143.925438
where:
bonds (distance) C4'-P energy: -31.241
bonds (distance) P-C4' energy: -41.082
flat angles C4'-P-C4' energy: -36.551
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: -5.754
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: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -353.581034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.581034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.581034 (E_RNA)
where:
Base-Base interactions energy: -213.401
where: short stacking energy: -109.687
Base-Backbone interact. energy: -0.776
local terms energy: -139.404085
where:
bonds (distance) C4'-P energy: -32.887
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -36.272
flat angles P-C4'-P energy: -25.262
tors. eta vs tors. theta energy: -20.013
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: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -223.453008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.453008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.453008 (E_RNA)
where:
Base-Base interactions energy: -94.337
where: short stacking energy: -81.955
Base-Backbone interact. energy: -0.984
local terms energy: -128.131709
where:
bonds (distance) C4'-P energy: -37.333
bonds (distance) P-C4' energy: -35.327
flat angles C4'-P-C4' energy: -31.821
flat angles P-C4'-P energy: -17.586
tors. eta vs tors. theta energy: -6.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -719.749188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.749188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.749188 (E_RNA)
where:
Base-Base interactions energy: -496.426
where: short stacking energy: -226.810
Base-Backbone interact. energy: -0.622
local terms energy: -222.701350
where:
bonds (distance) C4'-P energy: -33.745
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -47.379
flat angles P-C4'-P energy: -27.823
tors. eta vs tors. theta energy: -67.095
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: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -717.449908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.449908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.449908 (E_RNA)
where:
Base-Base interactions energy: -503.609
where: short stacking energy: -200.946
Base-Backbone interact. energy: -1.179
local terms energy: -212.662223
where:
bonds (distance) C4'-P energy: -42.208
bonds (distance) P-C4' energy: -40.527
flat angles C4'-P-C4' energy: -46.132
flat angles P-C4'-P energy: -28.700
tors. eta vs tors. theta energy: -55.095
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: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -689.162899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.162899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.162899 (E_RNA)
where:
Base-Base interactions energy: -454.744
where: short stacking energy: -215.263
Base-Backbone interact. energy: -0.620
local terms energy: -233.798146
where:
bonds (distance) C4'-P energy: -43.408
bonds (distance) P-C4' energy: -44.027
flat angles C4'-P-C4' energy: -42.297
flat angles P-C4'-P energy: -36.311
tors. eta vs tors. theta energy: -67.756
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: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -670.464716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.464716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.464716 (E_RNA)
where:
Base-Base interactions energy: -464.493
where: short stacking energy: -193.410
Base-Backbone interact. energy: 1.341
local terms energy: -207.312804
where:
bonds (distance) C4'-P energy: -40.569
bonds (distance) P-C4' energy: -39.739
flat angles C4'-P-C4' energy: -41.914
flat angles P-C4'-P energy: -30.390
tors. eta vs tors. theta energy: -54.701
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: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -610.639995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.639995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.639995 (E_RNA)
where:
Base-Base interactions energy: -401.806
where: short stacking energy: -182.762
Base-Backbone interact. energy: -0.143
local terms energy: -208.691613
where:
bonds (distance) C4'-P energy: -41.005
bonds (distance) P-C4' energy: -38.779
flat angles C4'-P-C4' energy: -47.962
flat angles P-C4'-P energy: -29.410
tors. eta vs tors. theta energy: -51.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -508.057106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.057106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.057106 (E_RNA)
where:
Base-Base interactions energy: -325.983
where: short stacking energy: -146.002
Base-Backbone interact. energy: -2.845
local terms energy: -179.228661
where:
bonds (distance) C4'-P energy: -39.008
bonds (distance) P-C4' energy: -37.264
flat angles C4'-P-C4' energy: -41.877
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -35.750
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: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -467.720526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.720526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.720526 (E_RNA)
where:
Base-Base interactions energy: -286.502
where: short stacking energy: -152.797
Base-Backbone interact. energy: -0.368
local terms energy: -180.850684
where:
bonds (distance) C4'-P energy: -37.959
bonds (distance) P-C4' energy: -37.745
flat angles C4'-P-C4' energy: -43.086
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -39.529
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: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -350.818954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.818954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.818954 (E_RNA)
where:
Base-Base interactions energy: -209.236
where: short stacking energy: -114.185
Base-Backbone interact. energy: -0.501
local terms energy: -141.081565
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -41.160
flat angles P-C4'-P energy: -20.729
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -361.164851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.164851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.164851 (E_RNA)
where:
Base-Base interactions energy: -231.171
where: short stacking energy: -100.316
Base-Backbone interact. energy: 2.429
local terms energy: -132.423360
where:
bonds (distance) C4'-P energy: -32.767
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -37.133
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -20.085
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: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -188.501907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.501907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.501907 (E_RNA)
where:
Base-Base interactions energy: -72.296
where: short stacking energy: -59.574
Base-Backbone interact. energy: 2.897
local terms energy: -119.103172
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -37.103
flat angles C4'-P-C4' energy: -35.105
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: 3.565
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: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -766.867530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.867530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.867530 (E_RNA)
where:
Base-Base interactions energy: -530.957
where: short stacking energy: -214.423
Base-Backbone interact. energy: -1.019
local terms energy: -234.891838
where:
bonds (distance) C4'-P energy: -39.660
bonds (distance) P-C4' energy: -46.459
flat angles C4'-P-C4' energy: -51.442
flat angles P-C4'-P energy: -36.041
tors. eta vs tors. theta energy: -61.290
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: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -708.919400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.919400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.919400 (E_RNA)
where:
Base-Base interactions energy: -490.355
where: short stacking energy: -223.401
Base-Backbone interact. energy: -1.560
local terms energy: -217.004676
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -35.575
flat angles C4'-P-C4' energy: -49.390
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -66.451
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: 70
Temperature: 1.000000
Total energy: -696.164137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.164137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.164137 (E_RNA)
where:
Base-Base interactions energy: -479.945
where: short stacking energy: -207.849
Base-Backbone interact. energy: -0.187
local terms energy: -216.031678
where:
bonds (distance) C4'-P energy: -38.234
bonds (distance) P-C4' energy: -37.431
flat angles C4'-P-C4' energy: -51.670
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -56.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -650.004874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.004874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.004874 (E_RNA)
where:
Base-Base interactions energy: -423.779
where: short stacking energy: -197.022
Base-Backbone interact. energy: -0.032
local terms energy: -226.194145
where:
bonds (distance) C4'-P energy: -39.821
bonds (distance) P-C4' energy: -47.582
flat angles C4'-P-C4' energy: -42.639
flat angles P-C4'-P energy: -31.685
tors. eta vs tors. theta energy: -64.466
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: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -634.274381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.274381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.274381 (E_RNA)
where:
Base-Base interactions energy: -427.253
where: short stacking energy: -198.322
Base-Backbone interact. energy: -0.720
local terms energy: -206.301054
where:
bonds (distance) C4'-P energy: -37.951
bonds (distance) P-C4' energy: -43.117
flat angles C4'-P-C4' energy: -43.679
flat angles P-C4'-P energy: -27.415
tors. eta vs tors. theta energy: -54.139
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: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -501.444135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.444135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.444135 (E_RNA)
where:
Base-Base interactions energy: -315.940
where: short stacking energy: -150.357
Base-Backbone interact. energy: -0.768
local terms energy: -184.736425
where:
bonds (distance) C4'-P energy: -39.184
bonds (distance) P-C4' energy: -46.339
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -33.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -424.380863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.380863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.380863 (E_RNA)
where:
Base-Base interactions energy: -253.517
where: short stacking energy: -141.601
Base-Backbone interact. energy: -0.584
local terms energy: -170.279977
where:
bonds (distance) C4'-P energy: -32.470
bonds (distance) P-C4' energy: -42.106
flat angles C4'-P-C4' energy: -39.248
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -28.574
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: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -345.815647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.815647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.815647 (E_RNA)
where:
Base-Base interactions energy: -205.615
where: short stacking energy: -120.448
Base-Backbone interact. energy: -1.401
local terms energy: -138.799614
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -37.118
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -14.749
tors. eta vs tors. theta energy: -27.510
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: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -354.755835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.755835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.755835 (E_RNA)
where:
Base-Base interactions energy: -194.861
where: short stacking energy: -102.389
Base-Backbone interact. energy: -1.795
local terms energy: -158.099588
where:
bonds (distance) C4'-P energy: -38.274
bonds (distance) P-C4' energy: -38.011
flat angles C4'-P-C4' energy: -32.956
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: -18.687
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: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -188.617398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.617398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.617398 (E_RNA)
where:
Base-Base interactions energy: -75.189
where: short stacking energy: -64.522
Base-Backbone interact. energy: 1.617
local terms energy: -115.045123
where:
bonds (distance) C4'-P energy: -34.406
bonds (distance) P-C4' energy: -35.314
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: 6.266
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: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -741.059697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.059697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.059697 (E_RNA)
where:
Base-Base interactions energy: -525.774
where: short stacking energy: -202.883
Base-Backbone interact. energy: -1.977
local terms energy: -213.308598
where:
bonds (distance) C4'-P energy: -38.527
bonds (distance) P-C4' energy: -41.198
flat angles C4'-P-C4' energy: -43.295
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -59.541
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: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -720.984361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.984361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.984361 (E_RNA)
where:
Base-Base interactions energy: -500.241
where: short stacking energy: -197.307
Base-Backbone interact. energy: -0.852
local terms energy: -219.892316
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -44.036
flat angles C4'-P-C4' energy: -52.094
flat angles P-C4'-P energy: -29.193
tors. eta vs tors. theta energy: -55.257
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: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -702.563882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.563882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.563882 (E_RNA)
where:
Base-Base interactions energy: -489.163
where: short stacking energy: -209.126
Base-Backbone interact. energy: -1.448
local terms energy: -211.952618
where:
bonds (distance) C4'-P energy: -39.934
bonds (distance) P-C4' energy: -38.781
flat angles C4'-P-C4' energy: -41.634
flat angles P-C4'-P energy: -24.643
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: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -630.408800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.408800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.408800 (E_RNA)
where:
Base-Base interactions energy: -414.449
where: short stacking energy: -171.251
Base-Backbone interact. energy: -2.202
local terms energy: -213.757119
where:
bonds (distance) C4'-P energy: -42.835
bonds (distance) P-C4' energy: -46.488
flat angles C4'-P-C4' energy: -41.199
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -55.481
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: 5, replica: 1
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -629.809245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.809245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.809245 (E_RNA)
where:
Base-Base interactions energy: -409.552
where: short stacking energy: -193.711
Base-Backbone interact. energy: 0.187
local terms energy: -220.444310
where:
bonds (distance) C4'-P energy: -43.478
bonds (distance) P-C4' energy: -38.779
flat angles C4'-P-C4' energy: -47.303
flat angles P-C4'-P energy: -31.508
tors. eta vs tors. theta energy: -59.376
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: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -466.963933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.963933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.963933 (E_RNA)
where:
Base-Base interactions energy: -298.702
where: short stacking energy: -151.315
Base-Backbone interact. energy: -0.999
local terms energy: -167.262976
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -37.430
flat angles C4'-P-C4' energy: -35.765
flat angles P-C4'-P energy: -25.915
tors. eta vs tors. theta energy: -30.513
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: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -490.593422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.593422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.593422 (E_RNA)
where:
Base-Base interactions energy: -323.758
where: short stacking energy: -133.123
Base-Backbone interact. energy: 0.778
local terms energy: -167.613729
where:
bonds (distance) C4'-P energy: -36.689
bonds (distance) P-C4' energy: -35.182
flat angles C4'-P-C4' energy: -38.599
flat angles P-C4'-P energy: -27.138
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: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -366.251822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.251822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.251822 (E_RNA)
where:
Base-Base interactions energy: -224.460
where: short stacking energy: -102.554
Base-Backbone interact. energy: -0.455
local terms energy: -141.337127
where:
bonds (distance) C4'-P energy: -34.050
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -35.573
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -380.562315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.562315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.562315 (E_RNA)
where:
Base-Base interactions energy: -214.533
where: short stacking energy: -115.072
Base-Backbone interact. energy: 1.608
local terms energy: -167.637837
where:
bonds (distance) C4'-P energy: -34.586
bonds (distance) P-C4' energy: -47.284
flat angles C4'-P-C4' energy: -40.820
flat angles P-C4'-P energy: -22.518
tors. eta vs tors. theta energy: -22.430
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: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -193.942456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.942456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.942456 (E_RNA)
where:
Base-Base interactions energy: -73.260
where: short stacking energy: -64.223
Base-Backbone interact. energy: 2.531
local terms energy: -123.213497
where:
bonds (distance) C4'-P energy: -36.751
bonds (distance) P-C4' energy: -33.737
flat angles C4'-P-C4' energy: -33.172
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -2.873
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: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -730.977537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.977537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.977537 (E_RNA)
where:
Base-Base interactions energy: -484.507
where: short stacking energy: -203.531
Base-Backbone interact. energy: -1.552
local terms energy: -244.918244
where:
bonds (distance) C4'-P energy: -49.324
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -48.334
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -59.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -708.843905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.843905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.843905 (E_RNA)
where:
Base-Base interactions energy: -493.271
where: short stacking energy: -208.044
Base-Backbone interact. energy: -0.610
local terms energy: -214.962766
where:
bonds (distance) C4'-P energy: -38.530
bonds (distance) P-C4' energy: -44.000
flat angles C4'-P-C4' energy: -44.328
flat angles P-C4'-P energy: -34.678
tors. eta vs tors. theta energy: -53.426
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: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -701.214212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.214212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.214212 (E_RNA)
where:
Base-Base interactions energy: -494.838
where: short stacking energy: -211.605
Base-Backbone interact. energy: -1.040
local terms energy: -205.336297
where:
bonds (distance) C4'-P energy: -34.404
bonds (distance) P-C4' energy: -32.476
flat angles C4'-P-C4' energy: -49.166
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -63.359
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: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -636.691895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.691895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.691895 (E_RNA)
where:
Base-Base interactions energy: -430.655
where: short stacking energy: -190.077
Base-Backbone interact. energy: -0.080
local terms energy: -205.957514
where:
bonds (distance) C4'-P energy: -43.669
bonds (distance) P-C4' energy: -32.563
flat angles C4'-P-C4' energy: -43.402
flat angles P-C4'-P energy: -28.934
tors. eta vs tors. theta energy: -57.389
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: 1
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -647.973293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.973293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.973293 (E_RNA)
where:
Base-Base interactions energy: -433.285
where: short stacking energy: -197.168
Base-Backbone interact. energy: -1.161
local terms energy: -213.528018
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -45.273
flat angles P-C4'-P energy: -31.909
tors. eta vs tors. theta energy: -58.157
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: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -455.069646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.069646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.069646 (E_RNA)
where:
Base-Base interactions energy: -298.810
where: short stacking energy: -143.079
Base-Backbone interact. energy: -0.578
local terms energy: -155.680815
where:
bonds (distance) C4'-P energy: -34.200
bonds (distance) P-C4' energy: -46.754
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -29.424
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: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -473.062365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.062365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.062365 (E_RNA)
where:
Base-Base interactions energy: -299.672
where: short stacking energy: -126.110
Base-Backbone interact. energy: 1.948
local terms energy: -175.339036
where:
bonds (distance) C4'-P energy: -41.525
bonds (distance) P-C4' energy: -42.792
flat angles C4'-P-C4' energy: -37.573
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -25.015
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: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -367.600436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.600436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.600436 (E_RNA)
where:
Base-Base interactions energy: -213.494
where: short stacking energy: -104.514
Base-Backbone interact. energy: -2.211
local terms energy: -151.895890
where:
bonds (distance) C4'-P energy: -33.570
bonds (distance) P-C4' energy: -43.093
flat angles C4'-P-C4' energy: -34.745
flat angles P-C4'-P energy: -18.645
tors. eta vs tors. theta energy: -21.842
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: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -352.664771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.664771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.664771 (E_RNA)
where:
Base-Base interactions energy: -208.874
where: short stacking energy: -105.656
Base-Backbone interact. energy: -2.547
local terms energy: -141.243685
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -38.128
flat angles C4'-P-C4' energy: -38.776
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -214.509242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.509242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.509242 (E_RNA)
where:
Base-Base interactions energy: -94.445
where: short stacking energy: -54.281
Base-Backbone interact. energy: -1.118
local terms energy: -118.946192
where:
bonds (distance) C4'-P energy: -39.286
bonds (distance) P-C4' energy: -33.095
flat angles C4'-P-C4' energy: -28.017
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: 4.291
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: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -720.035783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.035783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.035783 (E_RNA)
where:
Base-Base interactions energy: -502.669
where: short stacking energy: -212.218
Base-Backbone interact. energy: -1.294
local terms energy: -216.072098
where:
bonds (distance) C4'-P energy: -40.416
bonds (distance) P-C4' energy: -43.002
flat angles C4'-P-C4' energy: -42.967
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -60.652
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: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -729.026301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.026301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.026301 (E_RNA)
where:
Base-Base interactions energy: -497.527
where: short stacking energy: -215.473
Base-Backbone interact. energy: -0.824
local terms energy: -230.674404
where:
bonds (distance) C4'-P energy: -44.009
bonds (distance) P-C4' energy: -42.161
flat angles C4'-P-C4' energy: -50.619
flat angles P-C4'-P energy: -27.592
tors. eta vs tors. theta energy: -66.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -690.258769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.258769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.258769 (E_RNA)
where:
Base-Base interactions energy: -458.722
where: short stacking energy: -206.459
Base-Backbone interact. energy: -1.445
local terms energy: -230.091517
where:
bonds (distance) C4'-P energy: -46.754
bonds (distance) P-C4' energy: -39.545
flat angles C4'-P-C4' energy: -49.262
flat angles P-C4'-P energy: -35.856
tors. eta vs tors. theta energy: -58.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -678.700642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.700642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.700642 (E_RNA)
where:
Base-Base interactions energy: -455.322
where: short stacking energy: -200.669
Base-Backbone interact. energy: -0.262
local terms energy: -223.116604
where:
bonds (distance) C4'-P energy: -38.092
bonds (distance) P-C4' energy: -48.239
flat angles C4'-P-C4' energy: -48.161
flat angles P-C4'-P energy: -30.688
tors. eta vs tors. theta energy: -57.936
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: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -617.244813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.244813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.244813 (E_RNA)
where:
Base-Base interactions energy: -413.871
where: short stacking energy: -178.338
Base-Backbone interact. energy: -0.573
local terms energy: -202.800196
where:
bonds (distance) C4'-P energy: -42.129
bonds (distance) P-C4' energy: -35.583
flat angles C4'-P-C4' energy: -42.248
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: -51.644
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: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -477.969112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.969112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.969112 (E_RNA)
where:
Base-Base interactions energy: -314.983
where: short stacking energy: -146.405
Base-Backbone interact. energy: -1.036
local terms energy: -161.950712
where:
bonds (distance) C4'-P energy: -38.789
bonds (distance) P-C4' energy: -44.780
flat angles C4'-P-C4' energy: -36.975
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -22.022
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: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -492.632521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.632521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.632521 (E_RNA)
where:
Base-Base interactions energy: -321.085
where: short stacking energy: -140.359
Base-Backbone interact. energy: 2.443
local terms energy: -173.989907
where:
bonds (distance) C4'-P energy: -38.589
bonds (distance) P-C4' energy: -42.925
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -28.469
tors. eta vs tors. theta energy: -23.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -356.403719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.403719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.403719 (E_RNA)
where:
Base-Base interactions energy: -201.028
where: short stacking energy: -100.317
Base-Backbone interact. energy: 0.592
local terms energy: -155.968537
where:
bonds (distance) C4'-P energy: -38.052
bonds (distance) P-C4' energy: -40.357
flat angles C4'-P-C4' energy: -36.660
flat angles P-C4'-P energy: -21.824
tors. eta vs tors. theta energy: -19.076
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: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -374.003517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.003517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.003517 (E_RNA)
where:
Base-Base interactions energy: -212.568
where: short stacking energy: -116.780
Base-Backbone interact. energy: 0.685
local terms energy: -162.120809
where:
bonds (distance) C4'-P energy: -34.326
bonds (distance) P-C4' energy: -43.123
flat angles C4'-P-C4' energy: -37.270
flat angles P-C4'-P energy: -26.421
tors. eta vs tors. theta energy: -20.982
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: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -241.329407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.329407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.329407 (E_RNA)
where:
Base-Base interactions energy: -113.690
where: short stacking energy: -69.150
Base-Backbone interact. energy: 1.513
local terms energy: -129.152633
where:
bonds (distance) C4'-P energy: -34.428
bonds (distance) P-C4' energy: -45.388
flat angles C4'-P-C4' energy: -23.998
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -3.426
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: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -742.221949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.221949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.221949 (E_RNA)
where:
Base-Base interactions energy: -510.029
where: short stacking energy: -223.575
Base-Backbone interact. energy: -1.412
local terms energy: -230.780548
where:
bonds (distance) C4'-P energy: -39.570
bonds (distance) P-C4' energy: -40.749
flat angles C4'-P-C4' energy: -49.636
flat angles P-C4'-P energy: -32.325
tors. eta vs tors. theta energy: -68.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -718.354201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.354201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.354201 (E_RNA)
where:
Base-Base interactions energy: -498.315
where: short stacking energy: -215.330
Base-Backbone interact. energy: -1.312
local terms energy: -218.726771
where:
bonds (distance) C4'-P energy: -39.327
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -47.613
flat angles P-C4'-P energy: -29.031
tors. eta vs tors. theta energy: -63.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -667.019261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.019261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.019261 (E_RNA)
where:
Base-Base interactions energy: -465.000
where: short stacking energy: -187.764
Base-Backbone interact. energy: -0.558
local terms energy: -201.461286
where:
bonds (distance) C4'-P energy: -30.858
bonds (distance) P-C4' energy: -45.441
flat angles C4'-P-C4' energy: -47.537
flat angles P-C4'-P energy: -25.304
tors. eta vs tors. theta energy: -52.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -648.969442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.969442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.969442 (E_RNA)
where:
Base-Base interactions energy: -447.763
where: short stacking energy: -183.801
Base-Backbone interact. energy: -0.835
local terms energy: -200.371417
where:
bonds (distance) C4'-P energy: -41.885
bonds (distance) P-C4' energy: -33.879
flat angles C4'-P-C4' energy: -49.330
flat angles P-C4'-P energy: -30.355
tors. eta vs tors. theta energy: -44.924
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: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -616.057959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.057959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.057959 (E_RNA)
where:
Base-Base interactions energy: -404.834
where: short stacking energy: -186.393
Base-Backbone interact. energy: -0.305
local terms energy: -210.918487
where:
bonds (distance) C4'-P energy: -33.631
bonds (distance) P-C4' energy: -48.746
flat angles C4'-P-C4' energy: -51.276
flat angles P-C4'-P energy: -35.408
tors. eta vs tors. theta energy: -41.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -498.490302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.490302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.490302 (E_RNA)
where:
Base-Base interactions energy: -343.288
where: short stacking energy: -157.097
Base-Backbone interact. energy: 2.528
local terms energy: -157.730366
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -36.137
flat angles C4'-P-C4' energy: -35.644
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -34.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -515.903714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.903714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.903714 (E_RNA)
where:
Base-Base interactions energy: -337.592
where: short stacking energy: -139.695
Base-Backbone interact. energy: -1.982
local terms energy: -176.329560
where:
bonds (distance) C4'-P energy: -37.632
bonds (distance) P-C4' energy: -34.577
flat angles C4'-P-C4' energy: -45.034
flat angles P-C4'-P energy: -27.377
tors. eta vs tors. theta energy: -31.710
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: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -351.688526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.688526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.688526 (E_RNA)
where:
Base-Base interactions energy: -202.051
where: short stacking energy: -115.638
Base-Backbone interact. energy: 0.047
local terms energy: -149.683981
where:
bonds (distance) C4'-P energy: -34.063
bonds (distance) P-C4' energy: -40.906
flat angles C4'-P-C4' energy: -28.460
flat angles P-C4'-P energy: -27.041
tors. eta vs tors. theta energy: -19.213
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: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -344.987477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.987477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.987477 (E_RNA)
where:
Base-Base interactions energy: -213.847
where: short stacking energy: -95.491
Base-Backbone interact. energy: 5.191
local terms energy: -136.331938
where:
bonds (distance) C4'-P energy: -37.846
bonds (distance) P-C4' energy: -38.680
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -216.722695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.722695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.722695 (E_RNA)
where:
Base-Base interactions energy: -91.414
where: short stacking energy: -65.235
Base-Backbone interact. energy: -1.588
local terms energy: -123.720979
where:
bonds (distance) C4'-P energy: -32.512
bonds (distance) P-C4' energy: -38.461
flat angles C4'-P-C4' energy: -32.078
flat angles P-C4'-P energy: -22.672
tors. eta vs tors. theta energy: 2.002
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: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -733.172302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.172302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.172302 (E_RNA)
where:
Base-Base interactions energy: -490.977
where: short stacking energy: -204.475
Base-Backbone interact. energy: -1.547
local terms energy: -240.648562
where:
bonds (distance) C4'-P energy: -45.994
bonds (distance) P-C4' energy: -44.463
flat angles C4'-P-C4' energy: -50.247
flat angles P-C4'-P energy: -36.073
tors. eta vs tors. theta energy: -63.871
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: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -709.218428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.218428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.218428 (E_RNA)
where:
Base-Base interactions energy: -479.861
where: short stacking energy: -214.877
Base-Backbone interact. energy: -0.705
local terms energy: -228.651933
where:
bonds (distance) C4'-P energy: -40.935
bonds (distance) P-C4' energy: -46.439
flat angles C4'-P-C4' energy: -49.771
flat angles P-C4'-P energy: -29.754
tors. eta vs tors. theta energy: -61.752
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: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -661.508120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.508120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.508120 (E_RNA)
where:
Base-Base interactions energy: -457.178
where: short stacking energy: -184.092
Base-Backbone interact. energy: -0.502
local terms energy: -203.827330
where:
bonds (distance) C4'-P energy: -37.545
bonds (distance) P-C4' energy: -42.341
flat angles C4'-P-C4' energy: -45.566
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -51.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -671.486716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.486716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.486716 (E_RNA)
where:
Base-Base interactions energy: -463.961
where: short stacking energy: -206.993
Base-Backbone interact. energy: -1.341
local terms energy: -206.184101
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -39.106
flat angles C4'-P-C4' energy: -48.605
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: -58.618
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: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -613.159379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.159379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.159379 (E_RNA)
where:
Base-Base interactions energy: -398.940
where: short stacking energy: -172.252
Base-Backbone interact. energy: -0.925
local terms energy: -213.294505
where:
bonds (distance) C4'-P energy: -48.826
bonds (distance) P-C4' energy: -36.990
flat angles C4'-P-C4' energy: -48.834
flat angles P-C4'-P energy: -31.059
tors. eta vs tors. theta energy: -47.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -556.356882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.356882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.356882 (E_RNA)
where:
Base-Base interactions energy: -368.740
where: short stacking energy: -174.953
Base-Backbone interact. energy: 0.703
local terms energy: -188.319446
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -33.301
flat angles C4'-P-C4' energy: -44.729
flat angles P-C4'-P energy: -20.623
tors. eta vs tors. theta energy: -44.044
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: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -482.794522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.794522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.794522 (E_RNA)
where:
Base-Base interactions energy: -327.158
where: short stacking energy: -133.503
Base-Backbone interact. energy: -1.780
local terms energy: -153.856110
where:
bonds (distance) C4'-P energy: -34.463
bonds (distance) P-C4' energy: -37.625
flat angles C4'-P-C4' energy: -36.472
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -27.032
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: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -356.003444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.003444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.003444 (E_RNA)
where:
Base-Base interactions energy: -203.195
where: short stacking energy: -102.618
Base-Backbone interact. energy: -1.189
local terms energy: -151.619360
where:
bonds (distance) C4'-P energy: -32.715
bonds (distance) P-C4' energy: -42.578
flat angles C4'-P-C4' energy: -32.108
flat angles P-C4'-P energy: -25.784
tors. eta vs tors. theta energy: -18.434
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: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -364.463031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.463031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.463031 (E_RNA)
where:
Base-Base interactions energy: -206.302
where: short stacking energy: -109.369
Base-Backbone interact. energy: 0.197
local terms energy: -158.358359
where:
bonds (distance) C4'-P energy: -34.311
bonds (distance) P-C4' energy: -33.405
flat angles C4'-P-C4' energy: -38.949
flat angles P-C4'-P energy: -33.237
tors. eta vs tors. theta energy: -18.457
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: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -195.444040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.444040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.444040 (E_RNA)
where:
Base-Base interactions energy: -66.668
where: short stacking energy: -63.248
Base-Backbone interact. energy: -1.119
local terms energy: -127.656960
where:
bonds (distance) C4'-P energy: -33.831
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -2.759
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: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -727.823032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.823032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.823032 (E_RNA)
where:
Base-Base interactions energy: -495.718
where: short stacking energy: -211.291
Base-Backbone interact. energy: 0.595
local terms energy: -232.700285
where:
bonds (distance) C4'-P energy: -37.861
bonds (distance) P-C4' energy: -48.929
flat angles C4'-P-C4' energy: -51.385
flat angles P-C4'-P energy: -31.770
tors. eta vs tors. theta energy: -62.755
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: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -713.582727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.582727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.582727 (E_RNA)
where:
Base-Base interactions energy: -485.767
where: short stacking energy: -195.823
Base-Backbone interact. energy: -0.940
local terms energy: -226.875826
where:
bonds (distance) C4'-P energy: -44.149
bonds (distance) P-C4' energy: -43.643
flat angles C4'-P-C4' energy: -42.132
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -67.376
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: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -679.794469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.794469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.794469 (E_RNA)
where:
Base-Base interactions energy: -460.607
where: short stacking energy: -196.206
Base-Backbone interact. energy: -0.331
local terms energy: -218.856679
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -41.081
flat angles C4'-P-C4' energy: -39.940
flat angles P-C4'-P energy: -32.393
tors. eta vs tors. theta energy: -56.990
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: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -680.964782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.964782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.964782 (E_RNA)
where:
Base-Base interactions energy: -457.376
where: short stacking energy: -203.430
Base-Backbone interact. energy: -1.934
local terms energy: -221.655563
where:
bonds (distance) C4'-P energy: -41.321
bonds (distance) P-C4' energy: -42.091
flat angles C4'-P-C4' energy: -48.398
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -56.142
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: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -597.806294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.806294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.806294 (E_RNA)
where:
Base-Base interactions energy: -386.990
where: short stacking energy: -182.002
Base-Backbone interact. energy: -1.350
local terms energy: -209.466188
where:
bonds (distance) C4'-P energy: -39.040
bonds (distance) P-C4' energy: -39.554
flat angles C4'-P-C4' energy: -45.513
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -55.925
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: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -565.174626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.174626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.174626 (E_RNA)
where:
Base-Base interactions energy: -379.403
where: short stacking energy: -170.402
Base-Backbone interact. energy: -1.616
local terms energy: -184.155759
where:
bonds (distance) C4'-P energy: -38.500
bonds (distance) P-C4' energy: -36.435
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -42.875
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: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -519.676028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.676028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.676028 (E_RNA)
where:
Base-Base interactions energy: -342.486
where: short stacking energy: -145.087
Base-Backbone interact. energy: -1.138
local terms energy: -176.051985
where:
bonds (distance) C4'-P energy: -36.205
bonds (distance) P-C4' energy: -47.071
flat angles C4'-P-C4' energy: -41.822
flat angles P-C4'-P energy: -20.598
tors. eta vs tors. theta energy: -30.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -350.858746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.858746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.858746 (E_RNA)
where:
Base-Base interactions energy: -206.291
where: short stacking energy: -107.290
Base-Backbone interact. energy: -0.495
local terms energy: -144.072504
where:
bonds (distance) C4'-P energy: -34.214
bonds (distance) P-C4' energy: -37.260
flat angles C4'-P-C4' energy: -31.406
flat angles P-C4'-P energy: -24.704
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -353.079712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.079712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.079712 (E_RNA)
where:
Base-Base interactions energy: -208.198
where: short stacking energy: -116.452
Base-Backbone interact. energy: -0.643
local terms energy: -144.238129
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -35.901
flat angles C4'-P-C4' energy: -37.519
flat angles P-C4'-P energy: -27.154
tors. eta vs tors. theta energy: -23.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -181.788373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.788373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.788373 (E_RNA)
where:
Base-Base interactions energy: -64.962
where: short stacking energy: -54.757
Base-Backbone interact. energy: -0.228
local terms energy: -116.598261
where:
bonds (distance) C4'-P energy: -36.826
bonds (distance) P-C4' energy: -35.713
flat angles C4'-P-C4' energy: -34.611
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: 1.957
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: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -731.244338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.244338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.244338 (E_RNA)
where:
Base-Base interactions energy: -507.814
where: short stacking energy: -221.288
Base-Backbone interact. energy: 1.278
local terms energy: -224.708184
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -41.240
flat angles C4'-P-C4' energy: -45.132
flat angles P-C4'-P energy: -37.427
tors. eta vs tors. theta energy: -57.896
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: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -708.323631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.323631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.323631 (E_RNA)
where:
Base-Base interactions energy: -480.491
where: short stacking energy: -200.371
Base-Backbone interact. energy: -1.546
local terms energy: -226.285929
where:
bonds (distance) C4'-P energy: -42.271
bonds (distance) P-C4' energy: -43.847
flat angles C4'-P-C4' energy: -47.338
flat angles P-C4'-P energy: -27.888
tors. eta vs tors. theta energy: -64.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -677.924737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.924737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.924737 (E_RNA)
where:
Base-Base interactions energy: -461.548
where: short stacking energy: -196.682
Base-Backbone interact. energy: -1.678
local terms energy: -214.697932
where:
bonds (distance) C4'-P energy: -36.905
bonds (distance) P-C4' energy: -42.443
flat angles C4'-P-C4' energy: -44.923
flat angles P-C4'-P energy: -28.272
tors. eta vs tors. theta energy: -62.154
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: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -681.767564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.767564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.767564 (E_RNA)
where:
Base-Base interactions energy: -459.910
where: short stacking energy: -194.253
Base-Backbone interact. energy: -1.109
local terms energy: -220.747914
where:
bonds (distance) C4'-P energy: -49.965
bonds (distance) P-C4' energy: -38.874
flat angles C4'-P-C4' energy: -39.133
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -58.319
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: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -615.120059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.120059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.120059 (E_RNA)
where:
Base-Base interactions energy: -406.825
where: short stacking energy: -188.349
Base-Backbone interact. energy: -0.998
local terms energy: -207.297632
where:
bonds (distance) C4'-P energy: -39.032
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -42.715
flat angles P-C4'-P energy: -35.611
tors. eta vs tors. theta energy: -54.827
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: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -572.394629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.394629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.394629 (E_RNA)
where:
Base-Base interactions energy: -381.354
where: short stacking energy: -170.236
Base-Backbone interact. energy: -0.504
local terms energy: -190.536523
where:
bonds (distance) C4'-P energy: -41.167
bonds (distance) P-C4' energy: -38.335
flat angles C4'-P-C4' energy: -42.798
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -38.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -548.375111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.375111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.375111 (E_RNA)
where:
Base-Base interactions energy: -371.675
where: short stacking energy: -153.903
Base-Backbone interact. energy: 0.756
local terms energy: -177.456466
where:
bonds (distance) C4'-P energy: -38.509
bonds (distance) P-C4' energy: -47.022
flat angles C4'-P-C4' energy: -38.822
flat angles P-C4'-P energy: -20.436
tors. eta vs tors. theta energy: -32.667
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: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -379.785353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.785353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.785353 (E_RNA)
where:
Base-Base interactions energy: -233.223
where: short stacking energy: -112.824
Base-Backbone interact. energy: 0.170
local terms energy: -146.731490
where:
bonds (distance) C4'-P energy: -36.241
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -33.377
flat angles P-C4'-P energy: -24.808
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -327.804016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.804016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.804016 (E_RNA)
where:
Base-Base interactions energy: -185.745
where: short stacking energy: -106.609
Base-Backbone interact. energy: -0.437
local terms energy: -141.621968
where:
bonds (distance) C4'-P energy: -34.289
bonds (distance) P-C4' energy: -37.745
flat angles C4'-P-C4' energy: -35.098
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -11.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -203.284758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.284758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.284758 (E_RNA)
where:
Base-Base interactions energy: -72.672
where: short stacking energy: -55.321
Base-Backbone interact. energy: 3.929
local terms energy: -134.541282
where:
bonds (distance) C4'-P energy: -42.364
bonds (distance) P-C4' energy: -31.211
flat angles C4'-P-C4' energy: -35.856
flat angles P-C4'-P energy: -18.737
tors. eta vs tors. theta energy: -6.372
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: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -733.988824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.988824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.988824 (E_RNA)
where:
Base-Base interactions energy: -522.733
where: short stacking energy: -217.906
Base-Backbone interact. energy: 0.502
local terms energy: -211.757739
where:
bonds (distance) C4'-P energy: -44.764
bonds (distance) P-C4' energy: -41.237
flat angles C4'-P-C4' energy: -38.255
flat angles P-C4'-P energy: -24.973
tors. eta vs tors. theta energy: -62.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -706.172250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.172250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.172250 (E_RNA)
where:
Base-Base interactions energy: -481.270
where: short stacking energy: -215.878
Base-Backbone interact. energy: -0.296
local terms energy: -224.606209
where:
bonds (distance) C4'-P energy: -42.207
bonds (distance) P-C4' energy: -40.566
flat angles C4'-P-C4' energy: -43.483
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -63.895
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: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -697.600154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.600154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.600154 (E_RNA)
where:
Base-Base interactions energy: -478.463
where: short stacking energy: -195.450
Base-Backbone interact. energy: -0.989
local terms energy: -218.147752
where:
bonds (distance) C4'-P energy: -43.158
bonds (distance) P-C4' energy: -45.960
flat angles C4'-P-C4' energy: -43.600
flat angles P-C4'-P energy: -32.514
tors. eta vs tors. theta energy: -52.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -651.460737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.460737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.460737 (E_RNA)
where:
Base-Base interactions energy: -433.601
where: short stacking energy: -184.119
Base-Backbone interact. energy: 2.592
local terms energy: -220.451474
where:
bonds (distance) C4'-P energy: -38.686
bonds (distance) P-C4' energy: -50.016
flat angles C4'-P-C4' energy: -48.389
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -56.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -610.263612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.263612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.263612 (E_RNA)
where:
Base-Base interactions energy: -410.844
where: short stacking energy: -184.923
Base-Backbone interact. energy: -0.823
local terms energy: -198.596711
where:
bonds (distance) C4'-P energy: -42.116
bonds (distance) P-C4' energy: -39.625
flat angles C4'-P-C4' energy: -44.624
flat angles P-C4'-P energy: -22.063
tors. eta vs tors. theta energy: -50.169
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: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -549.429946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.429946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.429946 (E_RNA)
where:
Base-Base interactions energy: -371.646
where: short stacking energy: -162.774
Base-Backbone interact. energy: -0.288
local terms energy: -177.496015
where:
bonds (distance) C4'-P energy: -35.751
bonds (distance) P-C4' energy: -40.128
flat angles C4'-P-C4' energy: -42.551
flat angles P-C4'-P energy: -26.480
tors. eta vs tors. theta energy: -32.587
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: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -497.102421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.102421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.102421 (E_RNA)
where:
Base-Base interactions energy: -326.139
where: short stacking energy: -141.521
Base-Backbone interact. energy: 0.368
local terms energy: -171.332305
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -44.736
flat angles P-C4'-P energy: -30.457
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -354.996938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.996938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.996938 (E_RNA)
where:
Base-Base interactions energy: -207.661
where: short stacking energy: -107.298
Base-Backbone interact. energy: 0.349
local terms energy: -147.685306
where:
bonds (distance) C4'-P energy: -33.946
bonds (distance) P-C4' energy: -40.287
flat angles C4'-P-C4' energy: -37.562
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -17.424
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: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -317.756483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.756483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.756483 (E_RNA)
where:
Base-Base interactions energy: -172.950
where: short stacking energy: -94.681
Base-Backbone interact. energy: -0.307
local terms energy: -144.499991
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -31.802
flat angles C4'-P-C4' energy: -41.506
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -9.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -207.301627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.301627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.301627 (E_RNA)
where:
Base-Base interactions energy: -64.265
where: short stacking energy: -61.648
Base-Backbone interact. energy: -1.326
local terms energy: -141.711275
where:
bonds (distance) C4'-P energy: -36.985
bonds (distance) P-C4' energy: -47.094
flat angles C4'-P-C4' energy: -36.212
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: 4.978
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: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -732.292600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.292600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.292600 (E_RNA)
where:
Base-Base interactions energy: -505.870
where: short stacking energy: -209.275
Base-Backbone interact. energy: -1.487
local terms energy: -224.935138
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -45.694
flat angles C4'-P-C4' energy: -50.352
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: -59.082
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: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -731.651814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.651814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.651814 (E_RNA)
where:
Base-Base interactions energy: -497.541
where: short stacking energy: -213.106
Base-Backbone interact. energy: -0.656
local terms energy: -233.454381
where:
bonds (distance) C4'-P energy: -43.500
bonds (distance) P-C4' energy: -48.629
flat angles C4'-P-C4' energy: -44.211
flat angles P-C4'-P energy: -35.281
tors. eta vs tors. theta energy: -61.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -695.281876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.281876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.281876 (E_RNA)
where:
Base-Base interactions energy: -483.700
where: short stacking energy: -221.368
Base-Backbone interact. energy: -0.808
local terms energy: -210.774284
where:
bonds (distance) C4'-P energy: -44.953
bonds (distance) P-C4' energy: -44.273
flat angles C4'-P-C4' energy: -42.928
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -57.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -657.201597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.201597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.201597 (E_RNA)
where:
Base-Base interactions energy: -430.697
where: short stacking energy: -200.295
Base-Backbone interact. energy: -1.344
local terms energy: -225.160480
where:
bonds (distance) C4'-P energy: -47.547
bonds (distance) P-C4' energy: -37.365
flat angles C4'-P-C4' energy: -42.929
flat angles P-C4'-P energy: -37.864
tors. eta vs tors. theta energy: -59.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -611.817916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.817916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.817916 (E_RNA)
where:
Base-Base interactions energy: -425.860
where: short stacking energy: -178.011
Base-Backbone interact. energy: -0.941
local terms energy: -185.016850
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -45.460
flat angles C4'-P-C4' energy: -46.207
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -43.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -547.255242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.255242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.255242 (E_RNA)
where:
Base-Base interactions energy: -360.459
where: short stacking energy: -170.151
Base-Backbone interact. energy: 0.247
local terms energy: -187.042954
where:
bonds (distance) C4'-P energy: -36.688
bonds (distance) P-C4' energy: -35.538
flat angles C4'-P-C4' energy: -41.902
flat angles P-C4'-P energy: -26.912
tors. eta vs tors. theta energy: -46.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -459.999053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.999053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.999053 (E_RNA)
where:
Base-Base interactions energy: -287.095
where: short stacking energy: -119.345
Base-Backbone interact. energy: -1.059
local terms energy: -171.845162
where:
bonds (distance) C4'-P energy: -44.375
bonds (distance) P-C4' energy: -36.946
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -30.072
tors. eta vs tors. theta energy: -22.808
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: 79
Temperature: 1.250000
Total energy: -346.985921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.985921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.985921 (E_RNA)
where:
Base-Base interactions energy: -189.520
where: short stacking energy: -97.333
Base-Backbone interact. energy: -0.536
local terms energy: -156.930438
where:
bonds (distance) C4'-P energy: -24.473
bonds (distance) P-C4' energy: -40.363
flat angles C4'-P-C4' energy: -33.286
flat angles P-C4'-P energy: -34.869
tors. eta vs tors. theta energy: -23.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -362.534682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.534682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.534682 (E_RNA)
where:
Base-Base interactions energy: -213.560
where: short stacking energy: -96.756
Base-Backbone interact. energy: 0.226
local terms energy: -149.200314
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -36.850
flat angles C4'-P-C4' energy: -41.625
flat angles P-C4'-P energy: -19.633
tors. eta vs tors. theta energy: -22.243
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: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -198.193718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.193718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.193718 (E_RNA)
where:
Base-Base interactions energy: -71.863
where: short stacking energy: -51.965
Base-Backbone interact. energy: -0.218
local terms energy: -126.112923
where:
bonds (distance) C4'-P energy: -37.645
bonds (distance) P-C4' energy: -44.376
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: 5.279
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: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -727.592993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.592993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.592993 (E_RNA)
where:
Base-Base interactions energy: -511.550
where: short stacking energy: -210.016
Base-Backbone interact. energy: -1.470
local terms energy: -214.572305
where:
bonds (distance) C4'-P energy: -41.868
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -39.912
flat angles P-C4'-P energy: -31.158
tors. eta vs tors. theta energy: -61.687
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: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -711.158713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.158713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.158713 (E_RNA)
where:
Base-Base interactions energy: -490.213
where: short stacking energy: -204.818
Base-Backbone interact. energy: 0.329
local terms energy: -221.274614
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -41.737
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -58.320
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: 1
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -674.809494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.809494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.809494 (E_RNA)
where:
Base-Base interactions energy: -462.306
where: short stacking energy: -205.405
Base-Backbone interact. energy: 1.694
local terms energy: -214.197622
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -48.954
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -54.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -681.251443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.251443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.251443 (E_RNA)
where:
Base-Base interactions energy: -464.857
where: short stacking energy: -204.048
Base-Backbone interact. energy: -0.733
local terms energy: -215.661151
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -39.480
flat angles C4'-P-C4' energy: -51.907
flat angles P-C4'-P energy: -26.478
tors. eta vs tors. theta energy: -59.145
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: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -621.324080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.324080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.324080 (E_RNA)
where:
Base-Base interactions energy: -430.233
where: short stacking energy: -186.717
Base-Backbone interact. energy: -0.119
local terms energy: -190.972610
where:
bonds (distance) C4'-P energy: -33.912
bonds (distance) P-C4' energy: -37.538
flat angles C4'-P-C4' energy: -41.866
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -53.079
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: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -539.324029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.324029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.324029 (E_RNA)
where:
Base-Base interactions energy: -358.384
where: short stacking energy: -157.138
Base-Backbone interact. energy: -0.833
local terms energy: -180.107525
where:
bonds (distance) C4'-P energy: -40.079
bonds (distance) P-C4' energy: -39.241
flat angles C4'-P-C4' energy: -38.464
flat angles P-C4'-P energy: -28.639
tors. eta vs tors. theta energy: -33.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -467.902847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.902847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.902847 (E_RNA)
where:
Base-Base interactions energy: -304.185
where: short stacking energy: -151.389
Base-Backbone interact. energy: -0.918
local terms energy: -162.799804
where:
bonds (distance) C4'-P energy: -36.734
bonds (distance) P-C4' energy: -33.528
flat angles C4'-P-C4' energy: -34.624
flat angles P-C4'-P energy: -18.305
tors. eta vs tors. theta energy: -39.609
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: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -319.861999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.861999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.861999 (E_RNA)
where:
Base-Base interactions energy: -163.500
where: short stacking energy: -86.186
Base-Backbone interact. energy: 0.047
local terms energy: -156.409630
where:
bonds (distance) C4'-P energy: -39.296
bonds (distance) P-C4' energy: -42.881
flat angles C4'-P-C4' energy: -35.635
flat angles P-C4'-P energy: -22.446
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -357.751436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.751436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.751436 (E_RNA)
where:
Base-Base interactions energy: -183.338
where: short stacking energy: -110.259
Base-Backbone interact. energy: -1.244
local terms energy: -173.168763
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -32.284
flat angles C4'-P-C4' energy: -40.317
flat angles P-C4'-P energy: -33.442
tors. eta vs tors. theta energy: -31.107
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: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -187.304429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.304429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.304429 (E_RNA)
where:
Base-Base interactions energy: -85.749
where: short stacking energy: -70.610
Base-Backbone interact. energy: 3.753
local terms energy: -105.307914
where:
bonds (distance) C4'-P energy: -34.415
bonds (distance) P-C4' energy: -40.879
flat angles C4'-P-C4' energy: -28.408
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: 8.980
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: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -754.986548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.986548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.986548 (E_RNA)
where:
Base-Base interactions energy: -528.113
where: short stacking energy: -221.761
Base-Backbone interact. energy: -1.230
local terms energy: -225.644212
where:
bonds (distance) C4'-P energy: -47.825
bonds (distance) P-C4' energy: -45.012
flat angles C4'-P-C4' energy: -41.460
flat angles P-C4'-P energy: -26.643
tors. eta vs tors. theta energy: -64.705
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: 2, replica: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -714.209723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.209723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.209723 (E_RNA)
where:
Base-Base interactions energy: -473.543
where: short stacking energy: -213.654
Base-Backbone interact. energy: 1.054
local terms energy: -241.720936
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -46.764
flat angles C4'-P-C4' energy: -47.875
flat angles P-C4'-P energy: -37.926
tors. eta vs tors. theta energy: -63.326
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: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -668.671892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.671892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.671892 (E_RNA)
where:
Base-Base interactions energy: -448.772
where: short stacking energy: -196.722
Base-Backbone interact. energy: -0.418
local terms energy: -219.482359
where:
bonds (distance) C4'-P energy: -34.360
bonds (distance) P-C4' energy: -46.999
flat angles C4'-P-C4' energy: -48.602
flat angles P-C4'-P energy: -31.036
tors. eta vs tors. theta energy: -58.485
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: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -637.453515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.453515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.453515 (E_RNA)
where:
Base-Base interactions energy: -438.478
where: short stacking energy: -197.865
Base-Backbone interact. energy: -0.730
local terms energy: -198.245606
where:
bonds (distance) C4'-P energy: -40.146
bonds (distance) P-C4' energy: -42.300
flat angles C4'-P-C4' energy: -38.203
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -52.210
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: 5, replica: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -657.940030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.940030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.940030 (E_RNA)
where:
Base-Base interactions energy: -446.355
where: short stacking energy: -188.742
Base-Backbone interact. energy: -0.333
local terms energy: -211.252473
where:
bonds (distance) C4'-P energy: -38.140
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -41.790
flat angles P-C4'-P energy: -28.027
tors. eta vs tors. theta energy: -63.102
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: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -487.865046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.865046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.865046 (E_RNA)
where:
Base-Base interactions energy: -312.947
where: short stacking energy: -133.409
Base-Backbone interact. energy: -1.554
local terms energy: -173.364663
where:
bonds (distance) C4'-P energy: -37.988
bonds (distance) P-C4' energy: -46.699
flat angles C4'-P-C4' energy: -38.764
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -26.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -535.472585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.472585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.472585 (E_RNA)
where:
Base-Base interactions energy: -346.767
where: short stacking energy: -150.717
Base-Backbone interact. energy: 0.253
local terms energy: -188.958066
where:
bonds (distance) C4'-P energy: -39.918
bonds (distance) P-C4' energy: -39.718
flat angles C4'-P-C4' energy: -35.779
flat angles P-C4'-P energy: -28.766
tors. eta vs tors. theta energy: -44.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -400.389901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.389901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.389901 (E_RNA)
where:
Base-Base interactions energy: -229.972
where: short stacking energy: -118.673
Base-Backbone interact. energy: 1.084
local terms energy: -171.501738
where:
bonds (distance) C4'-P energy: -33.518
bonds (distance) P-C4' energy: -46.460
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -24.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -318.734588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.734588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.734588 (E_RNA)
where:
Base-Base interactions energy: -191.436
where: short stacking energy: -106.987
Base-Backbone interact. energy: -0.983
local terms energy: -126.315939
where:
bonds (distance) C4'-P energy: -35.655
bonds (distance) P-C4' energy: -39.435
flat angles C4'-P-C4' energy: -30.046
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -5.873
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: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -202.768394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.768394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.768394 (E_RNA)
where:
Base-Base interactions energy: -68.769
where: short stacking energy: -67.109
Base-Backbone interact. energy: 0.219
local terms energy: -134.219002
where:
bonds (distance) C4'-P energy: -44.560
bonds (distance) P-C4' energy: -45.982
flat angles C4'-P-C4' energy: -32.609
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -734.334943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.334943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.334943 (E_RNA)
where:
Base-Base interactions energy: -518.217
where: short stacking energy: -219.071
Base-Backbone interact. energy: -1.410
local terms energy: -214.708216
where:
bonds (distance) C4'-P energy: -44.822
bonds (distance) P-C4' energy: -39.646
flat angles C4'-P-C4' energy: -45.273
flat angles P-C4'-P energy: -28.664
tors. eta vs tors. theta energy: -56.303
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: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -697.678402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.678402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.678402 (E_RNA)
where:
Base-Base interactions energy: -468.028
where: short stacking energy: -204.715
Base-Backbone interact. energy: -1.920
local terms energy: -227.730049
where:
bonds (distance) C4'-P energy: -45.047
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -43.299
flat angles P-C4'-P energy: -38.065
tors. eta vs tors. theta energy: -54.728
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: 1
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -671.868066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.868066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.868066 (E_RNA)
where:
Base-Base interactions energy: -459.036
where: short stacking energy: -207.192
Base-Backbone interact. energy: -0.657
local terms energy: -212.174415
where:
bonds (distance) C4'-P energy: -43.623
bonds (distance) P-C4' energy: -34.410
flat angles C4'-P-C4' energy: -45.799
flat angles P-C4'-P energy: -31.906
tors. eta vs tors. theta energy: -56.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -626.765814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.765814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.765814 (E_RNA)
where:
Base-Base interactions energy: -419.801
where: short stacking energy: -180.775
Base-Backbone interact. energy: -1.956
local terms energy: -205.008776
where:
bonds (distance) C4'-P energy: -37.661
bonds (distance) P-C4' energy: -38.718
flat angles C4'-P-C4' energy: -45.678
flat angles P-C4'-P energy: -32.174
tors. eta vs tors. theta energy: -50.778
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: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -646.218516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.218516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.218516 (E_RNA)
where:
Base-Base interactions energy: -442.389
where: short stacking energy: -191.213
Base-Backbone interact. energy: -0.853
local terms energy: -202.977127
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -42.292
flat angles C4'-P-C4' energy: -48.030
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -53.847
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: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -504.104703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.104703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.104703 (E_RNA)
where:
Base-Base interactions energy: -321.864
where: short stacking energy: -156.298
Base-Backbone interact. energy: -0.924
local terms energy: -181.316655
where:
bonds (distance) C4'-P energy: -40.844
bonds (distance) P-C4' energy: -38.762
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: -26.952
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: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -541.968632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.968632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.968632 (E_RNA)
where:
Base-Base interactions energy: -356.099
where: short stacking energy: -166.548
Base-Backbone interact. energy: -0.355
local terms energy: -185.514418
where:
bonds (distance) C4'-P energy: -25.924
bonds (distance) P-C4' energy: -41.052
flat angles C4'-P-C4' energy: -42.680
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -46.736
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: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -370.115124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.115124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.115124 (E_RNA)
where:
Base-Base interactions energy: -234.385
where: short stacking energy: -119.110
Base-Backbone interact. energy: -0.855
local terms energy: -134.875206
where:
bonds (distance) C4'-P energy: -29.258
bonds (distance) P-C4' energy: -34.886
flat angles C4'-P-C4' energy: -39.355
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -25.842
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: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -301.763736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.763736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.763736 (E_RNA)
where:
Base-Base interactions energy: -159.857
where: short stacking energy: -79.445
Base-Backbone interact. energy: 3.294
local terms energy: -145.200143
where:
bonds (distance) C4'-P energy: -42.790
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -20.744
tors. eta vs tors. theta energy: -16.723
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: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -224.292973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.292973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.292973 (E_RNA)
where:
Base-Base interactions energy: -103.055
where: short stacking energy: -81.192
Base-Backbone interact. energy: -0.291
local terms energy: -120.946864
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -34.312
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -4.341
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: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -744.877706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.877706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.877706 (E_RNA)
where:
Base-Base interactions energy: -521.471
where: short stacking energy: -212.060
Base-Backbone interact. energy: -1.515
local terms energy: -221.892266
where:
bonds (distance) C4'-P energy: -46.914
bonds (distance) P-C4' energy: -47.990
flat angles C4'-P-C4' energy: -37.317
flat angles P-C4'-P energy: -24.587
tors. eta vs tors. theta energy: -65.085
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: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -708.565517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.565517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.565517 (E_RNA)
where:
Base-Base interactions energy: -478.331
where: short stacking energy: -212.595
Base-Backbone interact. energy: -0.324
local terms energy: -229.910847
where:
bonds (distance) C4'-P energy: -40.323
bonds (distance) P-C4' energy: -48.348
flat angles C4'-P-C4' energy: -48.119
flat angles P-C4'-P energy: -34.124
tors. eta vs tors. theta energy: -58.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -673.077044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.077044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.077044 (E_RNA)
where:
Base-Base interactions energy: -460.824
where: short stacking energy: -200.003
Base-Backbone interact. energy: -0.456
local terms energy: -211.797345
where:
bonds (distance) C4'-P energy: -45.988
bonds (distance) P-C4' energy: -46.570
flat angles C4'-P-C4' energy: -39.597
flat angles P-C4'-P energy: -26.702
tors. eta vs tors. theta energy: -52.940
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: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -621.052402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.052402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.052402 (E_RNA)
where:
Base-Base interactions energy: -418.510
where: short stacking energy: -197.556
Base-Backbone interact. energy: 0.637
local terms energy: -203.179898
where:
bonds (distance) C4'-P energy: -37.334
bonds (distance) P-C4' energy: -37.742
flat angles C4'-P-C4' energy: -45.434
flat angles P-C4'-P energy: -33.961
tors. eta vs tors. theta energy: -48.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -658.856065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.856065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.856065 (E_RNA)
where:
Base-Base interactions energy: -454.680
where: short stacking energy: -210.907
Base-Backbone interact. energy: -2.443
local terms energy: -201.732896
where:
bonds (distance) C4'-P energy: -43.154
bonds (distance) P-C4' energy: -41.039
flat angles C4'-P-C4' energy: -43.925
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -55.621
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: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -576.806573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.806573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.806573 (E_RNA)
where:
Base-Base interactions energy: -393.034
where: short stacking energy: -184.872
Base-Backbone interact. energy: -0.198
local terms energy: -183.574382
where:
bonds (distance) C4'-P energy: -33.240
bonds (distance) P-C4' energy: -34.351
flat angles C4'-P-C4' energy: -45.513
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -47.649
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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -536.317501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.317501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.317501 (E_RNA)
where:
Base-Base interactions energy: -348.613
where: short stacking energy: -165.568
Base-Backbone interact. energy: 0.283
local terms energy: -187.987600
where:
bonds (distance) C4'-P energy: -43.206
bonds (distance) P-C4' energy: -44.149
flat angles C4'-P-C4' energy: -36.036
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: -41.212
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: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -388.408020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.408020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.408020 (E_RNA)
where:
Base-Base interactions energy: -233.241
where: short stacking energy: -109.037
Base-Backbone interact. energy: 0.561
local terms energy: -155.727987
where:
bonds (distance) C4'-P energy: -35.151
bonds (distance) P-C4' energy: -34.891
flat angles C4'-P-C4' energy: -42.978
flat angles P-C4'-P energy: -23.456
tors. eta vs tors. theta energy: -19.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -294.814801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.814801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.814801 (E_RNA)
where:
Base-Base interactions energy: -157.523
where: short stacking energy: -78.374
Base-Backbone interact. energy: -1.934
local terms energy: -135.357748
where:
bonds (distance) C4'-P energy: -40.379
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -36.947
flat angles P-C4'-P energy: -26.788
tors. eta vs tors. theta energy: -0.872
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: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -192.766191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.766191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.766191 (E_RNA)
where:
Base-Base interactions energy: -76.549
where: short stacking energy: -50.990
Base-Backbone interact. energy: -0.972
local terms energy: -115.244983
where:
bonds (distance) C4'-P energy: -32.984
bonds (distance) P-C4' energy: -43.884
flat angles C4'-P-C4' energy: -25.966
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: 3.603
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: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -735.974783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.974783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.974783 (E_RNA)
where:
Base-Base interactions energy: -514.994
where: short stacking energy: -223.461
Base-Backbone interact. energy: -1.525
local terms energy: -219.455485
where:
bonds (distance) C4'-P energy: -40.336
bonds (distance) P-C4' energy: -34.311
flat angles C4'-P-C4' energy: -50.667
flat angles P-C4'-P energy: -31.169
tors. eta vs tors. theta energy: -62.973
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: 2, replica: 3
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -698.409564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.409564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.409564 (E_RNA)
where:
Base-Base interactions energy: -466.145
where: short stacking energy: -214.656
Base-Backbone interact. energy: -0.844
local terms energy: -231.420051
where:
bonds (distance) C4'-P energy: -39.221
bonds (distance) P-C4' energy: -47.212
flat angles C4'-P-C4' energy: -50.925
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -59.613
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: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -678.640040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.640040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.640040 (E_RNA)
where:
Base-Base interactions energy: -454.015
where: short stacking energy: -209.405
Base-Backbone interact. energy: -0.216
local terms energy: -224.409575
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -47.409
flat angles C4'-P-C4' energy: -51.984
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -57.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -634.843257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.843257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.843257 (E_RNA)
where:
Base-Base interactions energy: -434.719
where: short stacking energy: -183.734
Base-Backbone interact. energy: 0.561
local terms energy: -200.685772
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -45.041
flat angles C4'-P-C4' energy: -40.044
flat angles P-C4'-P energy: -25.646
tors. eta vs tors. theta energy: -51.109
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: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -618.554474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.554474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.554474 (E_RNA)
where:
Base-Base interactions energy: -429.411
where: short stacking energy: -200.707
Base-Backbone interact. energy: -2.210
local terms energy: -186.933119
where:
bonds (distance) C4'-P energy: -31.443
bonds (distance) P-C4' energy: -34.142
flat angles C4'-P-C4' energy: -47.359
flat angles P-C4'-P energy: -21.082
tors. eta vs tors. theta energy: -52.907
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: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -558.175970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.175970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.175970 (E_RNA)
where:
Base-Base interactions energy: -353.952
where: short stacking energy: -165.354
Base-Backbone interact. energy: 0.111
local terms energy: -204.334806
where:
bonds (distance) C4'-P energy: -42.042
bonds (distance) P-C4' energy: -45.544
flat angles C4'-P-C4' energy: -45.427
flat angles P-C4'-P energy: -26.692
tors. eta vs tors. theta energy: -44.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -515.703031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.703031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.703031 (E_RNA)
where:
Base-Base interactions energy: -333.388
where: short stacking energy: -152.530
Base-Backbone interact. energy: -1.462
local terms energy: -180.852433
where:
bonds (distance) C4'-P energy: -39.933
bonds (distance) P-C4' energy: -41.036
flat angles C4'-P-C4' energy: -39.913
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -33.490
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: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -390.525961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.525961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.525961 (E_RNA)
where:
Base-Base interactions energy: -230.097
where: short stacking energy: -125.607
Base-Backbone interact. energy: 1.865
local terms energy: -162.294412
where:
bonds (distance) C4'-P energy: -42.222
bonds (distance) P-C4' energy: -35.170
flat angles C4'-P-C4' energy: -38.606
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -28.525
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: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -322.354259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.354259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.354259 (E_RNA)
where:
Base-Base interactions energy: -153.285
where: short stacking energy: -83.524
Base-Backbone interact. energy: -0.764
local terms energy: -168.305806
where:
bonds (distance) C4'-P energy: -42.919
bonds (distance) P-C4' energy: -43.393
flat angles C4'-P-C4' energy: -33.999
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -23.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -201.527428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.527428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.527428 (E_RNA)
where:
Base-Base interactions energy: -61.354
where: short stacking energy: -55.377
Base-Backbone interact. energy: -1.066
local terms energy: -139.106740
where:
bonds (distance) C4'-P energy: -36.512
bonds (distance) P-C4' energy: -38.580
flat angles C4'-P-C4' energy: -40.371
flat angles P-C4'-P energy: -22.284
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -740.631976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.631976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.631976 (E_RNA)
where:
Base-Base interactions energy: -498.302
where: short stacking energy: -207.813
Base-Backbone interact. energy: -1.026
local terms energy: -241.303253
where:
bonds (distance) C4'-P energy: -46.995
bonds (distance) P-C4' energy: -44.253
flat angles C4'-P-C4' energy: -50.384
flat angles P-C4'-P energy: -33.142
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: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -687.244120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.244120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.244120 (E_RNA)
where:
Base-Base interactions energy: -464.691
where: short stacking energy: -220.106
Base-Backbone interact. energy: -1.332
local terms energy: -221.221875
where:
bonds (distance) C4'-P energy: -37.340
bonds (distance) P-C4' energy: -44.205
flat angles C4'-P-C4' energy: -49.160
flat angles P-C4'-P energy: -32.441
tors. eta vs tors. theta energy: -58.075
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: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -695.257165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.257165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.257165 (E_RNA)
where:
Base-Base interactions energy: -483.527
where: short stacking energy: -205.194
Base-Backbone interact. energy: 1.149
local terms energy: -212.879112
where:
bonds (distance) C4'-P energy: -36.203
bonds (distance) P-C4' energy: -42.841
flat angles C4'-P-C4' energy: -51.319
flat angles P-C4'-P energy: -34.295
tors. eta vs tors. theta energy: -48.221
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: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -680.593408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.593408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.593408 (E_RNA)
where:
Base-Base interactions energy: -460.091
where: short stacking energy: -202.072
Base-Backbone interact. energy: -1.758
local terms energy: -218.744289
where:
bonds (distance) C4'-P energy: -39.840
bonds (distance) P-C4' energy: -45.457
flat angles C4'-P-C4' energy: -47.210
flat angles P-C4'-P energy: -27.016
tors. eta vs tors. theta energy: -59.222
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: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -624.510659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.510659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.510659 (E_RNA)
where:
Base-Base interactions energy: -424.310
where: short stacking energy: -186.614
Base-Backbone interact. energy: -0.201
local terms energy: -200.000149
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -38.321
flat angles C4'-P-C4' energy: -41.599
flat angles P-C4'-P energy: -27.289
tors. eta vs tors. theta energy: -58.319
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: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -526.861995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.861995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.861995 (E_RNA)
where:
Base-Base interactions energy: -357.472
where: short stacking energy: -167.192
Base-Backbone interact. energy: 1.510
local terms energy: -170.899613
where:
bonds (distance) C4'-P energy: -34.090
bonds (distance) P-C4' energy: -43.336
flat angles C4'-P-C4' energy: -40.566
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -28.164
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: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -515.788268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.788268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.788268 (E_RNA)
where:
Base-Base interactions energy: -342.078
where: short stacking energy: -157.232
Base-Backbone interact. energy: -1.499
local terms energy: -172.211393
where:
bonds (distance) C4'-P energy: -36.971
bonds (distance) P-C4' energy: -31.756
flat angles C4'-P-C4' energy: -37.561
flat angles P-C4'-P energy: -28.914
tors. eta vs tors. theta energy: -37.009
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: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -366.839959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.839959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.839959 (E_RNA)
where:
Base-Base interactions energy: -204.186
where: short stacking energy: -112.451
Base-Backbone interact. energy: -0.040
local terms energy: -162.614117
where:
bonds (distance) C4'-P energy: -36.271
bonds (distance) P-C4' energy: -40.005
flat angles C4'-P-C4' energy: -32.878
flat angles P-C4'-P energy: -30.030
tors. eta vs tors. theta energy: -23.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -303.450499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.450499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.450499 (E_RNA)
where:
Base-Base interactions energy: -169.389
where: short stacking energy: -92.991
Base-Backbone interact. energy: 0.016
local terms energy: -134.077930
where:
bonds (distance) C4'-P energy: -34.912
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -18.940
tors. eta vs tors. theta energy: -8.445
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: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -207.968482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.968482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.968482 (E_RNA)
where:
Base-Base interactions energy: -80.987
where: short stacking energy: -65.516
Base-Backbone interact. energy: -1.062
local terms energy: -125.918908
where:
bonds (distance) C4'-P energy: -36.746
bonds (distance) P-C4' energy: -38.864
flat angles C4'-P-C4' energy: -33.416
flat angles P-C4'-P energy: -22.570
tors. eta vs tors. theta energy: 5.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -734.213797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.213797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.213797 (E_RNA)
where:
Base-Base interactions energy: -489.505
where: short stacking energy: -208.191
Base-Backbone interact. energy: -0.409
local terms energy: -244.299584
where:
bonds (distance) C4'-P energy: -46.207
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -50.517
flat angles P-C4'-P energy: -33.601
tors. eta vs tors. theta energy: -67.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -687.516257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.516257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.516257 (E_RNA)
where:
Base-Base interactions energy: -451.804
where: short stacking energy: -214.401
Base-Backbone interact. energy: 1.046
local terms energy: -236.757573
where:
bonds (distance) C4'-P energy: -45.350
bonds (distance) P-C4' energy: -48.553
flat angles C4'-P-C4' energy: -53.307
flat angles P-C4'-P energy: -30.216
tors. eta vs tors. theta energy: -59.332
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: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -697.003688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.003688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.003688 (E_RNA)
where:
Base-Base interactions energy: -479.177
where: short stacking energy: -200.604
Base-Backbone interact. energy: 5.244
local terms energy: -223.070616
where:
bonds (distance) C4'-P energy: -43.106
bonds (distance) P-C4' energy: -39.696
flat angles C4'-P-C4' energy: -50.023
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -52.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -660.983175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.983175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.983175 (E_RNA)
where:
Base-Base interactions energy: -453.766
where: short stacking energy: -199.058
Base-Backbone interact. energy: -0.036
local terms energy: -207.181221
where:
bonds (distance) C4'-P energy: -28.851
bonds (distance) P-C4' energy: -46.125
flat angles C4'-P-C4' energy: -45.436
flat angles P-C4'-P energy: -27.280
tors. eta vs tors. theta energy: -59.490
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: 2
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -650.393322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.393322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.393322 (E_RNA)
where:
Base-Base interactions energy: -444.813
where: short stacking energy: -190.126
Base-Backbone interact. energy: -0.594
local terms energy: -204.986687
where:
bonds (distance) C4'-P energy: -29.892
bonds (distance) P-C4' energy: -41.050
flat angles C4'-P-C4' energy: -50.473
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -53.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -529.795619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.795619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.795619 (E_RNA)
where:
Base-Base interactions energy: -340.880
where: short stacking energy: -148.850
Base-Backbone interact. energy: 0.323
local terms energy: -189.238748
where:
bonds (distance) C4'-P energy: -38.916
bonds (distance) P-C4' energy: -50.490
flat angles C4'-P-C4' energy: -39.442
flat angles P-C4'-P energy: -28.303
tors. eta vs tors. theta energy: -32.088
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: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -546.292280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.292280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.292280 (E_RNA)
where:
Base-Base interactions energy: -368.527
where: short stacking energy: -175.519
Base-Backbone interact. energy: -0.770
local terms energy: -176.995436
where:
bonds (distance) C4'-P energy: -32.450
bonds (distance) P-C4' energy: -29.614
flat angles C4'-P-C4' energy: -39.865
flat angles P-C4'-P energy: -28.961
tors. eta vs tors. theta energy: -46.106
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: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -369.338546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.338546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.338546 (E_RNA)
where:
Base-Base interactions energy: -200.317
where: short stacking energy: -123.245
Base-Backbone interact. energy: -1.118
local terms energy: -167.903764
where:
bonds (distance) C4'-P energy: -44.393
bonds (distance) P-C4' energy: -38.284
flat angles C4'-P-C4' energy: -37.229
flat angles P-C4'-P energy: -19.160
tors. eta vs tors. theta energy: -28.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -334.038292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.038292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.038292 (E_RNA)
where:
Base-Base interactions energy: -192.533
where: short stacking energy: -85.118
Base-Backbone interact. energy: -0.282
local terms energy: -141.222981
where:
bonds (distance) C4'-P energy: -34.114
bonds (distance) P-C4' energy: -39.550
flat angles C4'-P-C4' energy: -27.869
flat angles P-C4'-P energy: -19.897
tors. eta vs tors. theta energy: -19.793
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: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -276.125429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.125429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.125429 (E_RNA)
where:
Base-Base interactions energy: -134.229
where: short stacking energy: -76.703
Base-Backbone interact. energy: -0.829
local terms energy: -141.067351
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -40.537
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -15.555
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: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -735.701926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.701926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.701926 (E_RNA)
where:
Base-Base interactions energy: -508.196
where: short stacking energy: -214.774
Base-Backbone interact. energy: -0.850
local terms energy: -226.656162
where:
bonds (distance) C4'-P energy: -42.934
bonds (distance) P-C4' energy: -41.212
flat angles C4'-P-C4' energy: -50.432
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -62.464
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: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -696.991803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.991803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.991803 (E_RNA)
where:
Base-Base interactions energy: -470.819
where: short stacking energy: -218.681
Base-Backbone interact. energy: -1.217
local terms energy: -224.956260
where:
bonds (distance) C4'-P energy: -44.654
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -51.845
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: -64.543
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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -681.767515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.767515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.767515 (E_RNA)
where:
Base-Base interactions energy: -458.577
where: short stacking energy: -202.593
Base-Backbone interact. energy: -1.614
local terms energy: -221.577083
where:
bonds (distance) C4'-P energy: -47.019
bonds (distance) P-C4' energy: -39.772
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -34.380
tors. eta vs tors. theta energy: -49.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -689.769543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.769543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.769543 (E_RNA)
where:
Base-Base interactions energy: -478.436
where: short stacking energy: -209.166
Base-Backbone interact. energy: -1.123
local terms energy: -210.210155
where:
bonds (distance) C4'-P energy: -36.050
bonds (distance) P-C4' energy: -38.758
flat angles C4'-P-C4' energy: -50.375
flat angles P-C4'-P energy: -26.470
tors. eta vs tors. theta energy: -58.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -662.446407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.446407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.446407 (E_RNA)
where:
Base-Base interactions energy: -452.339
where: short stacking energy: -198.867
Base-Backbone interact. energy: -0.268
local terms energy: -209.839245
where:
bonds (distance) C4'-P energy: -43.153
bonds (distance) P-C4' energy: -35.822
flat angles C4'-P-C4' energy: -41.248
flat angles P-C4'-P energy: -34.112
tors. eta vs tors. theta energy: -55.505
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: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -544.658671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.658671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.658671 (E_RNA)
where:
Base-Base interactions energy: -363.498
where: short stacking energy: -159.281
Base-Backbone interact. energy: -1.071
local terms energy: -180.089435
where:
bonds (distance) C4'-P energy: -32.177
bonds (distance) P-C4' energy: -44.771
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -28.152
tors. eta vs tors. theta energy: -35.137
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: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -504.041810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.041810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.041810 (E_RNA)
where:
Base-Base interactions energy: -323.084
where: short stacking energy: -165.883
Base-Backbone interact. energy: 1.019
local terms energy: -181.976321
where:
bonds (distance) C4'-P energy: -42.328
bonds (distance) P-C4' energy: -37.893
flat angles C4'-P-C4' energy: -41.056
flat angles P-C4'-P energy: -26.899
tors. eta vs tors. theta energy: -33.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -378.412617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.412617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.412617 (E_RNA)
where:
Base-Base interactions energy: -214.996
where: short stacking energy: -104.112
Base-Backbone interact. energy: -2.602
local terms energy: -160.814654
where:
bonds (distance) C4'-P energy: -41.517
bonds (distance) P-C4' energy: -44.853
flat angles C4'-P-C4' energy: -28.188
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: -19.591
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: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -345.197512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.197512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.197512 (E_RNA)
where:
Base-Base interactions energy: -198.400
where: short stacking energy: -103.538
Base-Backbone interact. energy: 1.124
local terms energy: -147.921669
where:
bonds (distance) C4'-P energy: -34.874
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -46.745
flat angles P-C4'-P energy: -24.580
tors. eta vs tors. theta energy: -11.391
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: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -304.661894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.661894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.661894 (E_RNA)
where:
Base-Base interactions energy: -168.322
where: short stacking energy: -78.177
Base-Backbone interact. energy: 2.640
local terms energy: -138.979888
where:
bonds (distance) C4'-P energy: -42.083
bonds (distance) P-C4' energy: -40.628
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -3.449
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: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -728.155406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.155406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.155406 (E_RNA)
where:
Base-Base interactions energy: -499.193
where: short stacking energy: -206.693
Base-Backbone interact. energy: -1.410
local terms energy: -227.552794
where:
bonds (distance) C4'-P energy: -42.038
bonds (distance) P-C4' energy: -45.987
flat angles C4'-P-C4' energy: -50.208
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -58.377
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: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -690.994490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.994490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.994490 (E_RNA)
where:
Base-Base interactions energy: -469.930
where: short stacking energy: -200.863
Base-Backbone interact. energy: 0.205
local terms energy: -221.269514
where:
bonds (distance) C4'-P energy: -36.957
bonds (distance) P-C4' energy: -48.923
flat angles C4'-P-C4' energy: -46.721
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -55.438
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: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -707.442939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.442939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.442939 (E_RNA)
where:
Base-Base interactions energy: -490.538
where: short stacking energy: -222.123
Base-Backbone interact. energy: -0.979
local terms energy: -215.926480
where:
bonds (distance) C4'-P energy: -39.960
bonds (distance) P-C4' energy: -44.534
flat angles C4'-P-C4' energy: -44.171
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -63.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -685.686162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.686162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.686162 (E_RNA)
where:
Base-Base interactions energy: -478.222
where: short stacking energy: -205.064
Base-Backbone interact. energy: -0.614
local terms energy: -206.849387
where:
bonds (distance) C4'-P energy: -43.094
bonds (distance) P-C4' energy: -32.147
flat angles C4'-P-C4' energy: -46.812
flat angles P-C4'-P energy: -32.234
tors. eta vs tors. theta energy: -52.563
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: 5, replica: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -684.720736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.720736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.720736 (E_RNA)
where:
Base-Base interactions energy: -465.749
where: short stacking energy: -209.999
Base-Backbone interact. energy: -0.313
local terms energy: -218.659427
where:
bonds (distance) C4'-P energy: -40.815
bonds (distance) P-C4' energy: -39.409
flat angles C4'-P-C4' energy: -45.656
flat angles P-C4'-P energy: -31.587
tors. eta vs tors. theta energy: -61.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -515.176083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.176083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.176083 (E_RNA)
where:
Base-Base interactions energy: -316.741
where: short stacking energy: -126.691
Base-Backbone interact. energy: -0.512
local terms energy: -197.923127
where:
bonds (distance) C4'-P energy: -46.104
bonds (distance) P-C4' energy: -47.283
flat angles C4'-P-C4' energy: -47.203
flat angles P-C4'-P energy: -26.179
tors. eta vs tors. theta energy: -31.155
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: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -471.826687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.826687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.826687 (E_RNA)
where:
Base-Base interactions energy: -301.136
where: short stacking energy: -143.615
Base-Backbone interact. energy: -0.435
local terms energy: -170.256361
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -43.416
flat angles P-C4'-P energy: -32.015
tors. eta vs tors. theta energy: -32.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -370.294329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.294329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.294329 (E_RNA)
where:
Base-Base interactions energy: -208.131
where: short stacking energy: -112.700
Base-Backbone interact. energy: -0.707
local terms energy: -161.455552
where:
bonds (distance) C4'-P energy: -40.296
bonds (distance) P-C4' energy: -32.189
flat angles C4'-P-C4' energy: -32.869
flat angles P-C4'-P energy: -24.880
tors. eta vs tors. theta energy: -31.221
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: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -330.322778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.322778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.322778 (E_RNA)
where:
Base-Base interactions energy: -179.613
where: short stacking energy: -95.545
Base-Backbone interact. energy: 1.117
local terms energy: -151.826871
where:
bonds (distance) C4'-P energy: -34.950
bonds (distance) P-C4' energy: -40.679
flat angles C4'-P-C4' energy: -32.052
flat angles P-C4'-P energy: -24.031
tors. eta vs tors. theta energy: -20.116
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: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -330.595368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.595368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.595368 (E_RNA)
where:
Base-Base interactions energy: -206.346
where: short stacking energy: -98.544
Base-Backbone interact. energy: -1.009
local terms energy: -123.240337
where:
bonds (distance) C4'-P energy: -29.746
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -40.057
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -0.326
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: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -740.415013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.415013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.415013 (E_RNA)
where:
Base-Base interactions energy: -501.991
where: short stacking energy: -209.666
Base-Backbone interact. energy: -2.522
local terms energy: -235.902580
where:
bonds (distance) C4'-P energy: -43.084
bonds (distance) P-C4' energy: -46.886
flat angles C4'-P-C4' energy: -47.429
flat angles P-C4'-P energy: -36.878
tors. eta vs tors. theta energy: -61.626
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: 1
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -694.359870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.359870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.359870 (E_RNA)
where:
Base-Base interactions energy: -456.743
where: short stacking energy: -209.677
Base-Backbone interact. energy: -0.769
local terms energy: -236.848105
where:
bonds (distance) C4'-P energy: -45.677
bonds (distance) P-C4' energy: -44.014
flat angles C4'-P-C4' energy: -50.447
flat angles P-C4'-P energy: -37.201
tors. eta vs tors. theta energy: -59.509
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: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -691.302693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.302693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.302693 (E_RNA)
where:
Base-Base interactions energy: -483.546
where: short stacking energy: -209.747
Base-Backbone interact. energy: 4.055
local terms energy: -211.811577
where:
bonds (distance) C4'-P energy: -39.309
bonds (distance) P-C4' energy: -39.861
flat angles C4'-P-C4' energy: -45.340
flat angles P-C4'-P energy: -31.973
tors. eta vs tors. theta energy: -55.329
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: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -677.978843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.978843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.978843 (E_RNA)
where:
Base-Base interactions energy: -475.646
where: short stacking energy: -213.654
Base-Backbone interact. energy: 0.527
local terms energy: -202.860178
where:
bonds (distance) C4'-P energy: -35.272
bonds (distance) P-C4' energy: -44.756
flat angles C4'-P-C4' energy: -47.473
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -55.062
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: 5, replica: 2
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -675.617552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.617552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.617552 (E_RNA)
where:
Base-Base interactions energy: -451.432
where: short stacking energy: -202.944
Base-Backbone interact. energy: -0.968
local terms energy: -223.218462
where:
bonds (distance) C4'-P energy: -41.215
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -46.348
flat angles P-C4'-P energy: -35.640
tors. eta vs tors. theta energy: -60.277
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: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -519.739194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.739194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.739194 (E_RNA)
where:
Base-Base interactions energy: -332.506
where: short stacking energy: -176.220
Base-Backbone interact. energy: -0.410
local terms energy: -186.823756
where:
bonds (distance) C4'-P energy: -40.436
bonds (distance) P-C4' energy: -32.238
flat angles C4'-P-C4' energy: -46.413
flat angles P-C4'-P energy: -27.894
tors. eta vs tors. theta energy: -39.842
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: 89
Temperature: 1.200000
Total energy: -505.040577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.040577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.040577 (E_RNA)
where:
Base-Base interactions energy: -340.558
where: short stacking energy: -152.193
Base-Backbone interact. energy: 0.462
local terms energy: -164.944438
where:
bonds (distance) C4'-P energy: -36.317
bonds (distance) P-C4' energy: -33.198
flat angles C4'-P-C4' energy: -38.825
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -33.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -353.441703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.441703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.441703 (E_RNA)
where:
Base-Base interactions energy: -208.290
where: short stacking energy: -116.349
Base-Backbone interact. energy: 0.200
local terms energy: -145.351905
where:
bonds (distance) C4'-P energy: -33.153
bonds (distance) P-C4' energy: -44.107
flat angles C4'-P-C4' energy: -38.490
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -324.740087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.740087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.740087 (E_RNA)
where:
Base-Base interactions energy: -182.232
where: short stacking energy: -95.120
Base-Backbone interact. energy: -1.185
local terms energy: -141.323032
where:
bonds (distance) C4'-P energy: -40.488
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -335.426163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.426163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.426163 (E_RNA)
where:
Base-Base interactions energy: -192.636
where: short stacking energy: -92.259
Base-Backbone interact. energy: -0.815
local terms energy: -141.975056
where:
bonds (distance) C4'-P energy: -35.456
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -19.952
tors. eta vs tors. theta energy: -15.765
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: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -728.439521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.439521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.439521 (E_RNA)
where:
Base-Base interactions energy: -502.826
where: short stacking energy: -221.208
Base-Backbone interact. energy: -0.254
local terms energy: -225.359879
where:
bonds (distance) C4'-P energy: -39.906
bonds (distance) P-C4' energy: -48.188
flat angles C4'-P-C4' energy: -44.112
flat angles P-C4'-P energy: -31.020
tors. eta vs tors. theta energy: -62.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -691.269230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.269230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.269230 (E_RNA)
where:
Base-Base interactions energy: -474.923
where: short stacking energy: -211.425
Base-Backbone interact. energy: -3.620
local terms energy: -212.725505
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -40.686
flat angles C4'-P-C4' energy: -46.784
flat angles P-C4'-P energy: -28.843
tors. eta vs tors. theta energy: -59.076
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: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -695.306509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.306509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.306509 (E_RNA)
where:
Base-Base interactions energy: -483.087
where: short stacking energy: -202.817
Base-Backbone interact. energy: -1.529
local terms energy: -210.689860
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -37.626
flat angles C4'-P-C4' energy: -43.495
flat angles P-C4'-P energy: -33.505
tors. eta vs tors. theta energy: -58.757
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: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -657.775421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.775421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.775421 (E_RNA)
where:
Base-Base interactions energy: -453.802
where: short stacking energy: -198.467
Base-Backbone interact. energy: 0.719
local terms energy: -204.692372
where:
bonds (distance) C4'-P energy: -35.233
bonds (distance) P-C4' energy: -35.951
flat angles C4'-P-C4' energy: -48.455
flat angles P-C4'-P energy: -31.890
tors. eta vs tors. theta energy: -53.163
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: 2
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -675.602178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.602178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.602178 (E_RNA)
where:
Base-Base interactions energy: -461.966
where: short stacking energy: -210.561
Base-Backbone interact. energy: -0.646
local terms energy: -212.990053
where:
bonds (distance) C4'-P energy: -34.071
bonds (distance) P-C4' energy: -40.700
flat angles C4'-P-C4' energy: -48.164
flat angles P-C4'-P energy: -29.845
tors. eta vs tors. theta energy: -60.209
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: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -523.467655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.467655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.467655 (E_RNA)
where:
Base-Base interactions energy: -316.996
where: short stacking energy: -139.238
Base-Backbone interact. energy: -0.721
local terms energy: -205.750910
where:
bonds (distance) C4'-P energy: -45.116
bonds (distance) P-C4' energy: -45.028
flat angles C4'-P-C4' energy: -45.791
flat angles P-C4'-P energy: -35.972
tors. eta vs tors. theta energy: -33.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -513.022383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.022383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.022383 (E_RNA)
where:
Base-Base interactions energy: -336.640
where: short stacking energy: -147.321
Base-Backbone interact. energy: -0.365
local terms energy: -176.017255
where:
bonds (distance) C4'-P energy: -33.772
bonds (distance) P-C4' energy: -40.390
flat angles C4'-P-C4' energy: -39.344
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -34.756
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: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -340.876293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.876293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.876293 (E_RNA)
where:
Base-Base interactions energy: -185.630
where: short stacking energy: -90.352
Base-Backbone interact. energy: -0.784
local terms energy: -154.463053
where:
bonds (distance) C4'-P energy: -37.510
bonds (distance) P-C4' energy: -27.716
flat angles C4'-P-C4' energy: -40.575
flat angles P-C4'-P energy: -31.246
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -332.488435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.488435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.488435 (E_RNA)
where:
Base-Base interactions energy: -195.849
where: short stacking energy: -96.904
Base-Backbone interact. energy: -0.021
local terms energy: -136.618461
where:
bonds (distance) C4'-P energy: -35.723
bonds (distance) P-C4' energy: -33.973
flat angles C4'-P-C4' energy: -34.475
flat angles P-C4'-P energy: -26.360
tors. eta vs tors. theta energy: -6.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -326.233776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.233776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.233776 (E_RNA)
where:
Base-Base interactions energy: -169.918
where: short stacking energy: -91.655
Base-Backbone interact. energy: -2.421
local terms energy: -153.894569
where:
bonds (distance) C4'-P energy: -42.947
bonds (distance) P-C4' energy: -36.391
flat angles C4'-P-C4' energy: -39.786
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -10.513
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: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -739.175797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.175797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.175797 (E_RNA)
where:
Base-Base interactions energy: -503.773
where: short stacking energy: -214.996
Base-Backbone interact. energy: -2.072
local terms energy: -233.331360
where:
bonds (distance) C4'-P energy: -47.497
bonds (distance) P-C4' energy: -45.921
flat angles C4'-P-C4' energy: -47.261
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -60.257
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: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -700.053367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.053367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.053367 (E_RNA)
where:
Base-Base interactions energy: -485.212
where: short stacking energy: -210.375
Base-Backbone interact. energy: -0.958
local terms energy: -213.883775
where:
bonds (distance) C4'-P energy: -46.277
bonds (distance) P-C4' energy: -40.127
flat angles C4'-P-C4' energy: -45.523
flat angles P-C4'-P energy: -24.851
tors. eta vs tors. theta energy: -57.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -672.984335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.984335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.984335 (E_RNA)
where:
Base-Base interactions energy: -454.079
where: short stacking energy: -205.725
Base-Backbone interact. energy: -1.198
local terms energy: -217.707105
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -41.353
flat angles C4'-P-C4' energy: -41.575
flat angles P-C4'-P energy: -32.594
tors. eta vs tors. theta energy: -64.426
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: 2
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -683.126331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.126331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.126331 (E_RNA)
where:
Base-Base interactions energy: -460.840
where: short stacking energy: -191.387
Base-Backbone interact. energy: -0.424
local terms energy: -221.862172
where:
bonds (distance) C4'-P energy: -41.285
bonds (distance) P-C4' energy: -45.012
flat angles C4'-P-C4' energy: -51.518
flat angles P-C4'-P energy: -30.836
tors. eta vs tors. theta energy: -53.210
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: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -650.663567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.663567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.663567 (E_RNA)
where:
Base-Base interactions energy: -451.480
where: short stacking energy: -197.738
Base-Backbone interact. energy: 0.357
local terms energy: -199.540410
where:
bonds (distance) C4'-P energy: -29.518
bonds (distance) P-C4' energy: -35.724
flat angles C4'-P-C4' energy: -47.765
flat angles P-C4'-P energy: -33.348
tors. eta vs tors. theta energy: -53.185
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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -526.934883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.934883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.934883 (E_RNA)
where:
Base-Base interactions energy: -358.086
where: short stacking energy: -157.678
Base-Backbone interact. energy: -1.251
local terms energy: -167.598028
where:
bonds (distance) C4'-P energy: -36.566
bonds (distance) P-C4' energy: -25.026
flat angles C4'-P-C4' energy: -42.391
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -40.808
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: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -498.447135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.447135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.447135 (E_RNA)
where:
Base-Base interactions energy: -318.858
where: short stacking energy: -144.959
Base-Backbone interact. energy: -0.511
local terms energy: -179.078444
where:
bonds (distance) C4'-P energy: -30.305
bonds (distance) P-C4' energy: -38.231
flat angles C4'-P-C4' energy: -47.637
flat angles P-C4'-P energy: -29.742
tors. eta vs tors. theta energy: -33.163
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: 91
Temperature: 1.250000
Total energy: -394.666398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.666398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.666398 (E_RNA)
where:
Base-Base interactions energy: -243.277
where: short stacking energy: -125.515
Base-Backbone interact. energy: -0.541
local terms energy: -150.848595
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -39.236
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -24.590
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: 10
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -332.340989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.340989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.340989 (E_RNA)
where:
Base-Base interactions energy: -183.589
where: short stacking energy: -81.762
Base-Backbone interact. energy: -0.201
local terms energy: -148.551118
where:
bonds (distance) C4'-P energy: -34.269
bonds (distance) P-C4' energy: -43.239
flat angles C4'-P-C4' energy: -35.528
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -320.747243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.747243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.747243 (E_RNA)
where:
Base-Base interactions energy: -184.468
where: short stacking energy: -93.885
Base-Backbone interact. energy: -1.844
local terms energy: -134.435353
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -41.366
flat angles C4'-P-C4' energy: -28.742
flat angles P-C4'-P energy: -25.986
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -739.654452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.654452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.654452 (E_RNA)
where:
Base-Base interactions energy: -511.973
where: short stacking energy: -222.939
Base-Backbone interact. energy: -2.127
local terms energy: -225.554436
where:
bonds (distance) C4'-P energy: -40.103
bonds (distance) P-C4' energy: -46.228
flat angles C4'-P-C4' energy: -45.298
flat angles P-C4'-P energy: -32.889
tors. eta vs tors. theta energy: -61.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -708.517301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.517301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.517301 (E_RNA)
where:
Base-Base interactions energy: -488.740
where: short stacking energy: -215.889
Base-Backbone interact. energy: 1.059
local terms energy: -220.836356
where:
bonds (distance) C4'-P energy: -42.786
bonds (distance) P-C4' energy: -39.464
flat angles C4'-P-C4' energy: -49.052
flat angles P-C4'-P energy: -27.871
tors. eta vs tors. theta energy: -61.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -693.496378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.496378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.496378 (E_RNA)
where:
Base-Base interactions energy: -469.946
where: short stacking energy: -195.675
Base-Backbone interact. energy: -0.390
local terms energy: -223.160102
where:
bonds (distance) C4'-P energy: -42.545
bonds (distance) P-C4' energy: -40.722
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -32.457
tors. eta vs tors. theta energy: -58.852
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: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -668.301283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.301283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.301283 (E_RNA)
where:
Base-Base interactions energy: -455.380
where: short stacking energy: -208.506
Base-Backbone interact. energy: 1.650
local terms energy: -214.571116
where:
bonds (distance) C4'-P energy: -46.669
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -46.991
flat angles P-C4'-P energy: -25.507
tors. eta vs tors. theta energy: -56.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -619.299746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.299746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.299746 (E_RNA)
where:
Base-Base interactions energy: -405.060
where: short stacking energy: -165.761
Base-Backbone interact. energy: -1.320
local terms energy: -212.919566
where:
bonds (distance) C4'-P energy: -44.146
bonds (distance) P-C4' energy: -38.381
flat angles C4'-P-C4' energy: -40.279
flat angles P-C4'-P energy: -39.451
tors. eta vs tors. theta energy: -50.664
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: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -536.054046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.054046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.054046 (E_RNA)
where:
Base-Base interactions energy: -369.998
where: short stacking energy: -155.106
Base-Backbone interact. energy: -1.531
local terms energy: -164.525764
where:
bonds (distance) C4'-P energy: -31.927
bonds (distance) P-C4' energy: -31.474
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -29.808
tors. eta vs tors. theta energy: -33.937
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: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -492.333826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.333826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.333826 (E_RNA)
where:
Base-Base interactions energy: -315.162
where: short stacking energy: -147.085
Base-Backbone interact. energy: -1.214
local terms energy: -175.957719
where:
bonds (distance) C4'-P energy: -36.899
bonds (distance) P-C4' energy: -37.395
flat angles C4'-P-C4' energy: -44.132
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -35.139
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: 8, replica: 8
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -368.404128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.404128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.404128 (E_RNA)
where:
Base-Base interactions energy: -213.938
where: short stacking energy: -109.115
Base-Backbone interact. energy: -0.804
local terms energy: -153.661819
where:
bonds (distance) C4'-P energy: -40.742
bonds (distance) P-C4' energy: -43.030
flat angles C4'-P-C4' energy: -39.286
flat angles P-C4'-P energy: -19.218
tors. eta vs tors. theta energy: -11.386
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: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -308.263217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.263217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.263217 (E_RNA)
where:
Base-Base interactions energy: -173.054
where: short stacking energy: -95.726
Base-Backbone interact. energy: -0.709
local terms energy: -134.499466
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -42.316
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -4.886
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: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -371.156753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.156753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.156753 (E_RNA)
where:
Base-Base interactions energy: -218.039
where: short stacking energy: -102.692
Base-Backbone interact. energy: -1.903
local terms energy: -151.214607
where:
bonds (distance) C4'-P energy: -27.808
bonds (distance) P-C4' energy: -38.873
flat angles C4'-P-C4' energy: -37.868
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -25.321
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: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -739.039035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.039035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.039035 (E_RNA)
where:
Base-Base interactions energy: -514.733
where: short stacking energy: -218.041
Base-Backbone interact. energy: -1.976
local terms energy: -222.329611
where:
bonds (distance) C4'-P energy: -40.599
bonds (distance) P-C4' energy: -43.124
flat angles C4'-P-C4' energy: -43.161
flat angles P-C4'-P energy: -32.249
tors. eta vs tors. theta energy: -63.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -720.898026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.898026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.898026 (E_RNA)
where:
Base-Base interactions energy: -501.120
where: short stacking energy: -220.949
Base-Backbone interact. energy: -0.603
local terms energy: -219.175249
where:
bonds (distance) C4'-P energy: -35.327
bonds (distance) P-C4' energy: -44.581
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -66.116
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: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -688.637159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.637159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.637159 (E_RNA)
where:
Base-Base interactions energy: -464.434
where: short stacking energy: -212.408
Base-Backbone interact. energy: -0.668
local terms energy: -223.534973
where:
bonds (distance) C4'-P energy: -40.569
bonds (distance) P-C4' energy: -41.624
flat angles C4'-P-C4' energy: -42.642
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -68.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -678.746804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.746804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.746804 (E_RNA)
where:
Base-Base interactions energy: -455.512
where: short stacking energy: -205.322
Base-Backbone interact. energy: -0.380
local terms energy: -222.854762
where:
bonds (distance) C4'-P energy: -49.462
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -42.541
flat angles P-C4'-P energy: -31.484
tors. eta vs tors. theta energy: -59.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -612.507485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.507485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.507485 (E_RNA)
where:
Base-Base interactions energy: -398.346
where: short stacking energy: -168.281
Base-Backbone interact. energy: -0.230
local terms energy: -213.931638
where:
bonds (distance) C4'-P energy: -40.036
bonds (distance) P-C4' energy: -44.823
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -47.184
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: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -556.320224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.320224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.320224 (E_RNA)
where:
Base-Base interactions energy: -359.865
where: short stacking energy: -160.870
Base-Backbone interact. energy: -0.770
local terms energy: -195.684985
where:
bonds (distance) C4'-P energy: -35.546
bonds (distance) P-C4' energy: -36.567
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -30.405
tors. eta vs tors. theta energy: -42.019
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: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -482.689940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.689940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.689940 (E_RNA)
where:
Base-Base interactions energy: -307.722
where: short stacking energy: -155.762
Base-Backbone interact. energy: -0.673
local terms energy: -174.295094
where:
bonds (distance) C4'-P energy: -37.344
bonds (distance) P-C4' energy: -45.042
flat angles C4'-P-C4' energy: -35.773
flat angles P-C4'-P energy: -25.312
tors. eta vs tors. theta energy: -30.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -363.938898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.938898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.938898 (E_RNA)
where:
Base-Base interactions energy: -207.034
where: short stacking energy: -108.646
Base-Backbone interact. energy: 0.917
local terms energy: -157.822076
where:
bonds (distance) C4'-P energy: -44.614
bonds (distance) P-C4' energy: -37.434
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -27.887
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -313.179667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.179667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.179667 (E_RNA)
where:
Base-Base interactions energy: -190.120
where: short stacking energy: -86.111
Base-Backbone interact. energy: 1.386
local terms energy: -124.446234
where:
bonds (distance) C4'-P energy: -38.211
bonds (distance) P-C4' energy: -35.554
flat angles C4'-P-C4' energy: -33.802
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -7.554
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: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -325.848532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.848532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.848532 (E_RNA)
where:
Base-Base interactions energy: -179.754
where: short stacking energy: -86.880
Base-Backbone interact. energy: 0.824
local terms energy: -146.918706
where:
bonds (distance) C4'-P energy: -35.932
bonds (distance) P-C4' energy: -32.694
flat angles C4'-P-C4' energy: -45.312
flat angles P-C4'-P energy: -27.208
tors. eta vs tors. theta energy: -5.773
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: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -721.380151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.380151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.380151 (E_RNA)
where:
Base-Base interactions energy: -502.241
where: short stacking energy: -208.182
Base-Backbone interact. energy: -0.889
local terms energy: -218.250018
where:
bonds (distance) C4'-P energy: -40.120
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -46.471
flat angles P-C4'-P energy: -30.055
tors. eta vs tors. theta energy: -58.604
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: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -695.059244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.059244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.059244 (E_RNA)
where:
Base-Base interactions energy: -460.214
where: short stacking energy: -199.565
Base-Backbone interact. energy: -1.058
local terms energy: -233.786886
where:
bonds (distance) C4'-P energy: -44.575
bonds (distance) P-C4' energy: -36.228
flat angles C4'-P-C4' energy: -48.475
flat angles P-C4'-P energy: -42.335
tors. eta vs tors. theta energy: -62.174
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: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -695.523907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.523907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.523907 (E_RNA)
where:
Base-Base interactions energy: -473.675
where: short stacking energy: -206.730
Base-Backbone interact. energy: -0.332
local terms energy: -221.517204
where:
bonds (distance) C4'-P energy: -42.398
bonds (distance) P-C4' energy: -43.167
flat angles C4'-P-C4' energy: -47.410
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -58.097
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: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -638.694446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.694446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.694446 (E_RNA)
where:
Base-Base interactions energy: -422.537
where: short stacking energy: -202.471
Base-Backbone interact. energy: -0.067
local terms energy: -216.090987
where:
bonds (distance) C4'-P energy: -44.619
bonds (distance) P-C4' energy: -42.850
flat angles C4'-P-C4' energy: -45.034
flat angles P-C4'-P energy: -31.159
tors. eta vs tors. theta energy: -52.429
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: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -603.563302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.563302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.563302 (E_RNA)
where:
Base-Base interactions energy: -390.369
where: short stacking energy: -177.120
Base-Backbone interact. energy: -1.169
local terms energy: -212.025073
where:
bonds (distance) C4'-P energy: -43.203
bonds (distance) P-C4' energy: -44.037
flat angles C4'-P-C4' energy: -44.207
flat angles P-C4'-P energy: -26.658
tors. eta vs tors. theta energy: -53.919
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: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -609.774543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.774543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.774543 (E_RNA)
where:
Base-Base interactions energy: -419.501
where: short stacking energy: -185.138
Base-Backbone interact. energy: -0.754
local terms energy: -189.519695
where:
bonds (distance) C4'-P energy: -39.973
bonds (distance) P-C4' energy: -35.292
flat angles C4'-P-C4' energy: -33.746
flat angles P-C4'-P energy: -30.155
tors. eta vs tors. theta energy: -50.353
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: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -481.716122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.716122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.716122 (E_RNA)
where:
Base-Base interactions energy: -329.678
where: short stacking energy: -145.325
Base-Backbone interact. energy: -0.711
local terms energy: -151.327206
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -42.600
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -26.308
tors. eta vs tors. theta energy: -22.407
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: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -365.355815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.355815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.355815 (E_RNA)
where:
Base-Base interactions energy: -202.599
where: short stacking energy: -115.597
Base-Backbone interact. energy: 2.040
local terms energy: -164.797494
where:
bonds (distance) C4'-P energy: -31.428
bonds (distance) P-C4' energy: -41.113
flat angles C4'-P-C4' energy: -46.545
flat angles P-C4'-P energy: -30.722
tors. eta vs tors. theta energy: -14.989
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: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -338.136777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.136777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.136777 (E_RNA)
where:
Base-Base interactions energy: -196.626
where: short stacking energy: -103.242
Base-Backbone interact. energy: -1.278
local terms energy: -140.232165
where:
bonds (distance) C4'-P energy: -34.803
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -34.314
flat angles P-C4'-P energy: -22.968
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -289.929862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.929862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.929862 (E_RNA)
where:
Base-Base interactions energy: -163.359
where: short stacking energy: -93.652
Base-Backbone interact. energy: -0.435
local terms energy: -126.136461
where:
bonds (distance) C4'-P energy: -21.891
bonds (distance) P-C4' energy: -42.496
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -21.369
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -726.397274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.397274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.397274 (E_RNA)
where:
Base-Base interactions energy: -494.101
where: short stacking energy: -218.923
Base-Backbone interact. energy: -1.049
local terms energy: -231.246618
where:
bonds (distance) C4'-P energy: -41.595
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -47.380
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -69.889
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: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -704.127537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.127537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.127537 (E_RNA)
where:
Base-Base interactions energy: -477.554
where: short stacking energy: -202.641
Base-Backbone interact. energy: 0.628
local terms energy: -227.201931
where:
bonds (distance) C4'-P energy: -46.682
bonds (distance) P-C4' energy: -45.201
flat angles C4'-P-C4' energy: -47.146
flat angles P-C4'-P energy: -26.925
tors. eta vs tors. theta energy: -61.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -687.746395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.746395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.746395 (E_RNA)
where:
Base-Base interactions energy: -472.988
where: short stacking energy: -211.446
Base-Backbone interact. energy: -0.128
local terms energy: -214.630083
where:
bonds (distance) C4'-P energy: -45.725
bonds (distance) P-C4' energy: -40.624
flat angles C4'-P-C4' energy: -46.388
flat angles P-C4'-P energy: -20.795
tors. eta vs tors. theta energy: -61.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -642.662021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.662021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.662021 (E_RNA)
where:
Base-Base interactions energy: -430.427
where: short stacking energy: -202.210
Base-Backbone interact. energy: -0.174
local terms energy: -212.061520
where:
bonds (distance) C4'-P energy: -39.333
bonds (distance) P-C4' energy: -40.586
flat angles C4'-P-C4' energy: -49.897
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -63.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -597.981190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.981190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.981190 (E_RNA)
where:
Base-Base interactions energy: -396.078
where: short stacking energy: -169.107
Base-Backbone interact. energy: -0.409
local terms energy: -201.494243
where:
bonds (distance) C4'-P energy: -39.554
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -47.239
flat angles P-C4'-P energy: -32.364
tors. eta vs tors. theta energy: -43.355
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: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -607.834023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.834023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.834023 (E_RNA)
where:
Base-Base interactions energy: -422.612
where: short stacking energy: -166.751
Base-Backbone interact. energy: -0.415
local terms energy: -184.807517
where:
bonds (distance) C4'-P energy: -39.633
bonds (distance) P-C4' energy: -29.752
flat angles C4'-P-C4' energy: -36.540
flat angles P-C4'-P energy: -31.634
tors. eta vs tors. theta energy: -47.248
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: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -492.786901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.786901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.786901 (E_RNA)
where:
Base-Base interactions energy: -328.022
where: short stacking energy: -161.239
Base-Backbone interact. energy: 3.538
local terms energy: -168.302498
where:
bonds (distance) C4'-P energy: -40.260
bonds (distance) P-C4' energy: -28.604
flat angles C4'-P-C4' energy: -46.964
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -26.454
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: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -342.877456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.877456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.877456 (E_RNA)
where:
Base-Base interactions energy: -188.046
where: short stacking energy: -99.511
Base-Backbone interact. energy: -1.232
local terms energy: -153.599341
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -40.063
flat angles C4'-P-C4' energy: -36.872
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -14.832
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: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -364.844934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.844934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.844934 (E_RNA)
where:
Base-Base interactions energy: -201.785
where: short stacking energy: -109.101
Base-Backbone interact. energy: -0.393
local terms energy: -162.667110
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -47.933
flat angles P-C4'-P energy: -32.309
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -312.588435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.588435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.588435 (E_RNA)
where:
Base-Base interactions energy: -181.863
where: short stacking energy: -90.223
Base-Backbone interact. energy: -1.217
local terms energy: -129.508915
where:
bonds (distance) C4'-P energy: -36.316
bonds (distance) P-C4' energy: -33.154
flat angles C4'-P-C4' energy: -31.669
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -9.951
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: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -735.900836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.900836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.900836 (E_RNA)
where:
Base-Base interactions energy: -500.596
where: short stacking energy: -229.430
Base-Backbone interact. energy: -0.733
local terms energy: -234.572036
where:
bonds (distance) C4'-P energy: -40.510
bonds (distance) P-C4' energy: -49.599
flat angles C4'-P-C4' energy: -46.769
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: -67.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -729.670075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.670075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.670075 (E_RNA)
where:
Base-Base interactions energy: -506.273
where: short stacking energy: -205.367
Base-Backbone interact. energy: 0.278
local terms energy: -223.675438
where:
bonds (distance) C4'-P energy: -45.561
bonds (distance) P-C4' energy: -41.135
flat angles C4'-P-C4' energy: -46.712
flat angles P-C4'-P energy: -28.467
tors. eta vs tors. theta energy: -61.800
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: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -669.679279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.679279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.679279 (E_RNA)
where:
Base-Base interactions energy: -456.060
where: short stacking energy: -198.835
Base-Backbone interact. energy: -0.358
local terms energy: -213.261631
where:
bonds (distance) C4'-P energy: -34.743
bonds (distance) P-C4' energy: -49.807
flat angles C4'-P-C4' energy: -40.492
flat angles P-C4'-P energy: -31.388
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: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -670.118308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.118308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.118308 (E_RNA)
where:
Base-Base interactions energy: -454.652
where: short stacking energy: -195.685
Base-Backbone interact. energy: -0.155
local terms energy: -215.311527
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -44.288
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -62.238
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: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -663.793252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.793252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.793252 (E_RNA)
where:
Base-Base interactions energy: -460.956
where: short stacking energy: -194.820
Base-Backbone interact. energy: -0.831
local terms energy: -202.006373
where:
bonds (distance) C4'-P energy: -34.194
bonds (distance) P-C4' energy: -45.308
flat angles C4'-P-C4' energy: -41.428
flat angles P-C4'-P energy: -29.219
tors. eta vs tors. theta energy: -51.856
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -556.796935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.796935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.796935 (E_RNA)
where:
Base-Base interactions energy: -356.732
where: short stacking energy: -154.725
Base-Backbone interact. energy: -0.603
local terms energy: -199.462018
where:
bonds (distance) C4'-P energy: -37.431
bonds (distance) P-C4' energy: -44.206
flat angles C4'-P-C4' energy: -47.806
flat angles P-C4'-P energy: -31.184
tors. eta vs tors. theta energy: -38.835
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: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -489.550672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.550672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.550672 (E_RNA)
where:
Base-Base interactions energy: -331.682
where: short stacking energy: -141.778
Base-Backbone interact. energy: -1.736
local terms energy: -156.132424
where:
bonds (distance) C4'-P energy: -30.769
bonds (distance) P-C4' energy: -38.885
flat angles C4'-P-C4' energy: -34.778
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -22.929
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: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -312.720396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.720396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.720396 (E_RNA)
where:
Base-Base interactions energy: -177.982
where: short stacking energy: -95.385
Base-Backbone interact. energy: -0.830
local terms energy: -133.908490
where:
bonds (distance) C4'-P energy: -32.154
bonds (distance) P-C4' energy: -39.052
flat angles C4'-P-C4' energy: -36.473
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -18.871
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: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -378.244449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.244449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.244449 (E_RNA)
where:
Base-Base interactions energy: -214.796
where: short stacking energy: -117.328
Base-Backbone interact. energy: 2.086
local terms energy: -165.533916
where:
bonds (distance) C4'-P energy: -36.512
bonds (distance) P-C4' energy: -46.409
flat angles C4'-P-C4' energy: -33.701
flat angles P-C4'-P energy: -28.219
tors. eta vs tors. theta energy: -20.694
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: 96
Temperature: 1.350000
Total energy: -309.828690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.828690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.828690 (E_RNA)
where:
Base-Base interactions energy: -174.234
where: short stacking energy: -99.744
Base-Backbone interact. energy: -0.576
local terms energy: -135.018060
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -38.926
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -12.115
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: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -729.247844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.247844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.247844 (E_RNA)
where:
Base-Base interactions energy: -492.632
where: short stacking energy: -216.654
Base-Backbone interact. energy: -1.400
local terms energy: -235.215582
where:
bonds (distance) C4'-P energy: -47.581
bonds (distance) P-C4' energy: -44.537
flat angles C4'-P-C4' energy: -46.085
flat angles P-C4'-P energy: -30.993
tors. eta vs tors. theta energy: -66.018
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: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -720.477754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.477754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.477754 (E_RNA)
where:
Base-Base interactions energy: -496.192
where: short stacking energy: -202.094
Base-Backbone interact. energy: -0.085
local terms energy: -224.200732
where:
bonds (distance) C4'-P energy: -39.218
bonds (distance) P-C4' energy: -45.052
flat angles C4'-P-C4' energy: -40.417
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -60.190
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: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -684.754435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.754435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.754435 (E_RNA)
where:
Base-Base interactions energy: -455.951
where: short stacking energy: -206.556
Base-Backbone interact. energy: -0.148
local terms energy: -228.655232
where:
bonds (distance) C4'-P energy: -44.737
bonds (distance) P-C4' energy: -40.165
flat angles C4'-P-C4' energy: -53.521
flat angles P-C4'-P energy: -28.267
tors. eta vs tors. theta energy: -61.965
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: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -695.588100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.588100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.588100 (E_RNA)
where:
Base-Base interactions energy: -470.552
where: short stacking energy: -206.453
Base-Backbone interact. energy: -1.037
local terms energy: -223.999137
where:
bonds (distance) C4'-P energy: -48.722
bonds (distance) P-C4' energy: -37.911
flat angles C4'-P-C4' energy: -42.655
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: -63.994
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: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -642.714797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.714797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.714797 (E_RNA)
where:
Base-Base interactions energy: -445.827
where: short stacking energy: -203.079
Base-Backbone interact. energy: 3.804
local terms energy: -200.692201
where:
bonds (distance) C4'-P energy: -37.085
bonds (distance) P-C4' energy: -40.065
flat angles C4'-P-C4' energy: -36.695
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -57.176
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: 6, replica: 5
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -554.922793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.922793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.922793 (E_RNA)
where:
Base-Base interactions energy: -365.823
where: short stacking energy: -155.983
Base-Backbone interact. energy: -2.533
local terms energy: -186.567359
where:
bonds (distance) C4'-P energy: -39.435
bonds (distance) P-C4' energy: -45.639
flat angles C4'-P-C4' energy: -43.180
flat angles P-C4'-P energy: -25.317
tors. eta vs tors. theta energy: -32.997
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: 97
Temperature: 1.200000
Total energy: -497.720311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.720311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.720311 (E_RNA)
where:
Base-Base interactions energy: -334.549
where: short stacking energy: -152.083
Base-Backbone interact. energy: -0.863
local terms energy: -162.308028
where:
bonds (distance) C4'-P energy: -34.945
bonds (distance) P-C4' energy: -35.020
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -22.472
tors. eta vs tors. theta energy: -36.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -377.218796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.218796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.218796 (E_RNA)
where:
Base-Base interactions energy: -211.596
where: short stacking energy: -126.736
Base-Backbone interact. energy: -0.461
local terms energy: -165.162092
where:
bonds (distance) C4'-P energy: -39.347
bonds (distance) P-C4' energy: -40.428
flat angles C4'-P-C4' energy: -43.004
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -25.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -379.880095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.880095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.880095 (E_RNA)
where:
Base-Base interactions energy: -244.775
where: short stacking energy: -124.853
Base-Backbone interact. energy: -0.823
local terms energy: -134.281415
where:
bonds (distance) C4'-P energy: -26.845
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -14.403
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: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -290.291004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.291004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.291004 (E_RNA)
where:
Base-Base interactions energy: -173.315
where: short stacking energy: -79.029
Base-Backbone interact. energy: -0.560
local terms energy: -116.415681
where:
bonds (distance) C4'-P energy: -29.222
bonds (distance) P-C4' energy: -30.189
flat angles C4'-P-C4' energy: -30.568
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -8.136
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: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -733.757909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.757909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.757909 (E_RNA)
where:
Base-Base interactions energy: -501.403
where: short stacking energy: -222.776
Base-Backbone interact. energy: -1.853
local terms energy: -230.501582
where:
bonds (distance) C4'-P energy: -40.882
bonds (distance) P-C4' energy: -42.742
flat angles C4'-P-C4' energy: -46.467
flat angles P-C4'-P energy: -33.008
tors. eta vs tors. theta energy: -67.402
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: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -710.628890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.628890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.628890 (E_RNA)
where:
Base-Base interactions energy: -488.783
where: short stacking energy: -215.459
Base-Backbone interact. energy: -1.147
local terms energy: -220.699148
where:
bonds (distance) C4'-P energy: -43.102
bonds (distance) P-C4' energy: -41.236
flat angles C4'-P-C4' energy: -46.950
flat angles P-C4'-P energy: -29.419
tors. eta vs tors. theta energy: -59.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -701.402498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.402498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.402498 (E_RNA)
where:
Base-Base interactions energy: -482.998
where: short stacking energy: -218.673
Base-Backbone interact. energy: -0.342
local terms energy: -218.062251
where:
bonds (distance) C4'-P energy: -43.363
bonds (distance) P-C4' energy: -40.764
flat angles C4'-P-C4' energy: -44.350
flat angles P-C4'-P energy: -28.333
tors. eta vs tors. theta energy: -61.253
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: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -703.163453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.163453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.163453 (E_RNA)
where:
Base-Base interactions energy: -478.131
where: short stacking energy: -219.000
Base-Backbone interact. energy: -0.376
local terms energy: -224.656940
where:
bonds (distance) C4'-P energy: -36.879
bonds (distance) P-C4' energy: -46.746
flat angles C4'-P-C4' energy: -46.612
flat angles P-C4'-P energy: -33.098
tors. eta vs tors. theta energy: -61.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -632.848491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.848491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.848491 (E_RNA)
where:
Base-Base interactions energy: -437.704
where: short stacking energy: -197.760
Base-Backbone interact. energy: 0.651
local terms energy: -195.795023
where:
bonds (distance) C4'-P energy: -37.320
bonds (distance) P-C4' energy: -35.114
flat angles C4'-P-C4' energy: -48.337
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -46.000
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: 6, replica: 5
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -568.159446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.159446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.159446 (E_RNA)
where:
Base-Base interactions energy: -383.667
where: short stacking energy: -180.916
Base-Backbone interact. energy: -0.327
local terms energy: -184.164599
where:
bonds (distance) C4'-P energy: -39.117
bonds (distance) P-C4' energy: -35.740
flat angles C4'-P-C4' energy: -46.502
flat angles P-C4'-P energy: -16.832
tors. eta vs tors. theta energy: -45.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -562.659183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.659183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.659183 (E_RNA)
where:
Base-Base interactions energy: -375.032
where: short stacking energy: -155.120
Base-Backbone interact. energy: 0.268
local terms energy: -187.894657
where:
bonds (distance) C4'-P energy: -39.666
bonds (distance) P-C4' energy: -44.214
flat angles C4'-P-C4' energy: -33.728
flat angles P-C4'-P energy: -33.033
tors. eta vs tors. theta energy: -37.255
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: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -344.865906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.865906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.865906 (E_RNA)
where:
Base-Base interactions energy: -209.843
where: short stacking energy: -99.188
Base-Backbone interact. energy: -0.367
local terms energy: -134.655956
where:
bonds (distance) C4'-P energy: -34.232
bonds (distance) P-C4' energy: -44.722
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -23.973
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -378.119995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.119995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.119995 (E_RNA)
where:
Base-Base interactions energy: -241.005
where: short stacking energy: -99.600
Base-Backbone interact. energy: 1.510
local terms energy: -138.625147
where:
bonds (distance) C4'-P energy: -33.259
bonds (distance) P-C4' energy: -44.567
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -20.900
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -292.314558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.314558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.314558 (E_RNA)
where:
Base-Base interactions energy: -161.908
where: short stacking energy: -84.268
Base-Backbone interact. energy: -0.739
local terms energy: -129.667096
where:
bonds (distance) C4'-P energy: -38.559
bonds (distance) P-C4' energy: -44.470
flat angles C4'-P-C4' energy: -34.296
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -1.341
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: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -746.332389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.332389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.332389 (E_RNA)
where:
Base-Base interactions energy: -499.980
where: short stacking energy: -214.276
Base-Backbone interact. energy: -2.205
local terms energy: -244.146936
where:
bonds (distance) C4'-P energy: -42.578
bonds (distance) P-C4' energy: -49.934
flat angles C4'-P-C4' energy: -47.643
flat angles P-C4'-P energy: -34.727
tors. eta vs tors. theta energy: -69.266
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: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -699.966843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.966843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.966843 (E_RNA)
where:
Base-Base interactions energy: -484.456
where: short stacking energy: -203.256
Base-Backbone interact. energy: 1.309
local terms energy: -216.819543
where:
bonds (distance) C4'-P energy: -42.357
bonds (distance) P-C4' energy: -44.873
flat angles C4'-P-C4' energy: -44.859
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -57.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -680.791132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.791132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.791132 (E_RNA)
where:
Base-Base interactions energy: -463.304
where: short stacking energy: -210.123
Base-Backbone interact. energy: -0.238
local terms energy: -217.249874
where:
bonds (distance) C4'-P energy: -40.039
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -46.351
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -59.940
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: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -680.436631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.436631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.436631 (E_RNA)
where:
Base-Base interactions energy: -452.889
where: short stacking energy: -190.951
Base-Backbone interact. energy: -0.366
local terms energy: -227.181472
where:
bonds (distance) C4'-P energy: -40.953
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -49.622
flat angles P-C4'-P energy: -32.862
tors. eta vs tors. theta energy: -52.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -659.914421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.914421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.914421 (E_RNA)
where:
Base-Base interactions energy: -437.890
where: short stacking energy: -193.460
Base-Backbone interact. energy: -1.599
local terms energy: -220.425474
where:
bonds (distance) C4'-P energy: -39.926
bonds (distance) P-C4' energy: -42.147
flat angles C4'-P-C4' energy: -52.247
flat angles P-C4'-P energy: -31.308
tors. eta vs tors. theta energy: -54.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -562.415450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.415450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.415450 (E_RNA)
where:
Base-Base interactions energy: -372.095
where: short stacking energy: -185.983
Base-Backbone interact. energy: -0.848
local terms energy: -189.472208
where:
bonds (distance) C4'-P energy: -37.879
bonds (distance) P-C4' energy: -40.374
flat angles C4'-P-C4' energy: -41.207
flat angles P-C4'-P energy: -26.171
tors. eta vs tors. theta energy: -43.842
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: 99
Temperature: 1.200000
Total energy: -557.352774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.352774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.352774 (E_RNA)
where:
Base-Base interactions energy: -378.727
where: short stacking energy: -164.497
Base-Backbone interact. energy: -1.643
local terms energy: -176.983185
where:
bonds (distance) C4'-P energy: -27.071
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -38.489
flat angles P-C4'-P energy: -31.599
tors. eta vs tors. theta energy: -41.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -444.562356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.562356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.562356 (E_RNA)
where:
Base-Base interactions energy: -277.546
where: short stacking energy: -116.759
Base-Backbone interact. energy: -0.952
local terms energy: -166.064193
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -45.474
flat angles C4'-P-C4' energy: -43.212
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -328.018535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.018535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.018535 (E_RNA)
where:
Base-Base interactions energy: -184.716
where: short stacking energy: -110.633
Base-Backbone interact. energy: -0.441
local terms energy: -142.861208
where:
bonds (distance) C4'-P energy: -45.230
bonds (distance) P-C4' energy: -34.504
flat angles C4'-P-C4' energy: -33.410
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -16.817
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: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -295.505083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.505083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.505083 (E_RNA)
where:
Base-Base interactions energy: -160.270
where: short stacking energy: -94.229
Base-Backbone interact. energy: -0.915
local terms energy: -134.319407
where:
bonds (distance) C4'-P energy: -26.716
bonds (distance) P-C4' energy: -42.700
flat angles C4'-P-C4' energy: -38.646
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -5.408
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: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -733.920837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.920837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.920837 (E_RNA)
where:
Base-Base interactions energy: -502.166
where: short stacking energy: -220.792
Base-Backbone interact. energy: -0.819
local terms energy: -230.936210
where:
bonds (distance) C4'-P energy: -32.071
bonds (distance) P-C4' energy: -48.454
flat angles C4'-P-C4' energy: -52.055
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -64.201
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: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -702.285860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.285860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.285860 (E_RNA)
where:
Base-Base interactions energy: -477.695
where: short stacking energy: -207.612
Base-Backbone interact. energy: -0.901
local terms energy: -223.690218
where:
bonds (distance) C4'-P energy: -43.828
bonds (distance) P-C4' energy: -46.282
flat angles C4'-P-C4' energy: -43.688
flat angles P-C4'-P energy: -33.314
tors. eta vs tors. theta energy: -56.578
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: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -698.892178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.892178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.892178 (E_RNA)
where:
Base-Base interactions energy: -473.761
where: short stacking energy: -207.887
Base-Backbone interact. energy: -0.808
local terms energy: -224.323713
where:
bonds (distance) C4'-P energy: -43.224
bonds (distance) P-C4' energy: -45.939
flat angles C4'-P-C4' energy: -44.712
flat angles P-C4'-P energy: -31.073
tors. eta vs tors. theta energy: -59.376
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: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -646.712997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.712997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.712997 (E_RNA)
where:
Base-Base interactions energy: -430.679
where: short stacking energy: -188.506
Base-Backbone interact. energy: -0.607
local terms energy: -215.426813
where:
bonds (distance) C4'-P energy: -46.670
bonds (distance) P-C4' energy: -39.388
flat angles C4'-P-C4' energy: -47.033
flat angles P-C4'-P energy: -24.656
tors. eta vs tors. theta energy: -57.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -617.501492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.501492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.501492 (E_RNA)
where:
Base-Base interactions energy: -409.467
where: short stacking energy: -188.492
Base-Backbone interact. energy: -0.895
local terms energy: -207.139891
where:
bonds (distance) C4'-P energy: -44.603
bonds (distance) P-C4' energy: -30.859
flat angles C4'-P-C4' energy: -46.089
flat angles P-C4'-P energy: -31.667
tors. eta vs tors. theta energy: -53.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -585.022759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.022759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.022759 (E_RNA)
where:
Base-Base interactions energy: -388.756
where: short stacking energy: -169.048
Base-Backbone interact. energy: -0.690
local terms energy: -195.577098
where:
bonds (distance) C4'-P energy: -42.098
bonds (distance) P-C4' energy: -36.979
flat angles C4'-P-C4' energy: -39.316
flat angles P-C4'-P energy: -33.770
tors. eta vs tors. theta energy: -43.414
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: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -543.017400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.017400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.017400 (E_RNA)
where:
Base-Base interactions energy: -380.264
where: short stacking energy: -159.763
Base-Backbone interact. energy: -0.287
local terms energy: -162.467168
where:
bonds (distance) C4'-P energy: -25.673
bonds (distance) P-C4' energy: -32.437
flat angles C4'-P-C4' energy: -45.247
flat angles P-C4'-P energy: -26.080
tors. eta vs tors. theta energy: -33.029
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: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -406.190425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.190425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.190425 (E_RNA)
where:
Base-Base interactions energy: -263.336
where: short stacking energy: -130.455
Base-Backbone interact. energy: 1.917
local terms energy: -144.772099
where:
bonds (distance) C4'-P energy: -34.787
bonds (distance) P-C4' energy: -30.842
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -24.357
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -313.961722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.961722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.961722 (E_RNA)
where:
Base-Base interactions energy: -166.845
where: short stacking energy: -96.031
Base-Backbone interact. energy: -1.107
local terms energy: -146.009906
where:
bonds (distance) C4'-P energy: -34.541
bonds (distance) P-C4' energy: -37.013
flat angles C4'-P-C4' energy: -38.222
flat angles P-C4'-P energy: -26.294
tors. eta vs tors. theta energy: -9.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -292.953988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.953988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.953988 (E_RNA)
where:
Base-Base interactions energy: -162.238
where: short stacking energy: -98.814
Base-Backbone interact. energy: 1.866
local terms energy: -132.582128
where:
bonds (distance) C4'-P energy: -30.527
bonds (distance) P-C4' energy: -40.293
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -17.719
tors. eta vs tors. theta energy: -9.363
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: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -733.648374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.648374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.648374 (E_RNA)
where:
Base-Base interactions energy: -507.417
where: short stacking energy: -217.432
Base-Backbone interact. energy: -1.898
local terms energy: -224.333121
where:
bonds (distance) C4'-P energy: -46.316
bonds (distance) P-C4' energy: -45.518
flat angles C4'-P-C4' energy: -42.195
flat angles P-C4'-P energy: -24.469
tors. eta vs tors. theta energy: -65.835
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: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -722.505925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.505925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.505925 (E_RNA)
where:
Base-Base interactions energy: -507.672
where: short stacking energy: -217.233
Base-Backbone interact. energy: -3.879
local terms energy: -210.954798
where:
bonds (distance) C4'-P energy: -37.699
bonds (distance) P-C4' energy: -38.194
flat angles C4'-P-C4' energy: -44.342
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: -62.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -683.280715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.280715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.280715 (E_RNA)
where:
Base-Base interactions energy: -465.461
where: short stacking energy: -183.559
Base-Backbone interact. energy: -2.055
local terms energy: -215.764561
where:
bonds (distance) C4'-P energy: -45.254
bonds (distance) P-C4' energy: -41.138
flat angles C4'-P-C4' energy: -48.159
flat angles P-C4'-P energy: -26.723
tors. eta vs tors. theta energy: -54.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -652.234010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.234010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.234010 (E_RNA)
where:
Base-Base interactions energy: -446.458
where: short stacking energy: -205.771
Base-Backbone interact. energy: -0.958
local terms energy: -204.818502
where:
bonds (distance) C4'-P energy: -33.916
bonds (distance) P-C4' energy: -41.561
flat angles C4'-P-C4' energy: -44.250
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -61.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -613.447528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.447528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.447528 (E_RNA)
where:
Base-Base interactions energy: -413.280
where: short stacking energy: -182.205
Base-Backbone interact. energy: -0.987
local terms energy: -199.180553
where:
bonds (distance) C4'-P energy: -34.879
bonds (distance) P-C4' energy: -41.746
flat angles C4'-P-C4' energy: -47.428
flat angles P-C4'-P energy: -28.975
tors. eta vs tors. theta energy: -46.152
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: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -558.048754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.048754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.048754 (E_RNA)
where:
Base-Base interactions energy: -377.904
where: short stacking energy: -165.670
Base-Backbone interact. energy: 0.539
local terms energy: -180.684194
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -35.618
flat angles P-C4'-P energy: -26.552
tors. eta vs tors. theta energy: -42.715
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: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -527.889531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.889531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.889531 (E_RNA)
where:
Base-Base interactions energy: -347.887
where: short stacking energy: -141.338
Base-Backbone interact. energy: 1.461
local terms energy: -181.463148
where:
bonds (distance) C4'-P energy: -40.316
bonds (distance) P-C4' energy: -36.281
flat angles C4'-P-C4' energy: -40.603
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -33.542
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: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -380.007764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.007764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.007764 (E_RNA)
where:
Base-Base interactions energy: -231.458
where: short stacking energy: -112.290
Base-Backbone interact. energy: -0.913
local terms energy: -147.636297
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -38.776
flat angles C4'-P-C4' energy: -34.878
flat angles P-C4'-P energy: -18.188
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: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -287.232852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.232852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.232852 (E_RNA)
where:
Base-Base interactions energy: -152.704
where: short stacking energy: -84.543
Base-Backbone interact. energy: -2.026
local terms energy: -132.502578
where:
bonds (distance) C4'-P energy: -32.555
bonds (distance) P-C4' energy: -40.061
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -20.146
tors. eta vs tors. theta energy: -8.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -292.652759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.652759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.652759 (E_RNA)
where:
Base-Base interactions energy: -174.221
where: short stacking energy: -93.336
Base-Backbone interact. energy: -0.426
local terms energy: -118.005752
where:
bonds (distance) C4'-P energy: -36.589
bonds (distance) P-C4' energy: -37.716
flat angles C4'-P-C4' energy: -27.632
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -2.503
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: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -745.180897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.180897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.180897 (E_RNA)
where:
Base-Base interactions energy: -514.915
where: short stacking energy: -203.457
Base-Backbone interact. energy: -0.952
local terms energy: -229.313276
where:
bonds (distance) C4'-P energy: -44.679
bonds (distance) P-C4' energy: -48.910
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -66.012
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: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -725.870660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.870660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.870660 (E_RNA)
where:
Base-Base interactions energy: -489.231
where: short stacking energy: -218.339
Base-Backbone interact. energy: -0.755
local terms energy: -235.884827
where:
bonds (distance) C4'-P energy: -45.946
bonds (distance) P-C4' energy: -44.099
flat angles C4'-P-C4' energy: -49.378
flat angles P-C4'-P energy: -32.849
tors. eta vs tors. theta energy: -63.613
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: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -686.714740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.714740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.714740 (E_RNA)
where:
Base-Base interactions energy: -464.328
where: short stacking energy: -191.140
Base-Backbone interact. energy: -0.726
local terms energy: -221.661490
where:
bonds (distance) C4'-P energy: -43.774
bonds (distance) P-C4' energy: -41.797
flat angles C4'-P-C4' energy: -47.802
flat angles P-C4'-P energy: -38.295
tors. eta vs tors. theta energy: -49.995
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: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -663.476490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.476490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.476490 (E_RNA)
where:
Base-Base interactions energy: -430.801
where: short stacking energy: -208.184
Base-Backbone interact. energy: -0.160
local terms energy: -232.515809
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -48.088
flat angles C4'-P-C4' energy: -45.069
flat angles P-C4'-P energy: -29.370
tors. eta vs tors. theta energy: -58.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -593.710017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.710017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.710017 (E_RNA)
where:
Base-Base interactions energy: -394.824
where: short stacking energy: -172.557
Base-Backbone interact. energy: 0.724
local terms energy: -199.610135
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -40.641
flat angles C4'-P-C4' energy: -50.918
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: -46.419
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: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -569.373488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.373488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.373488 (E_RNA)
where:
Base-Base interactions energy: -368.326
where: short stacking energy: -166.463
Base-Backbone interact. energy: -0.730
local terms energy: -200.317072
where:
bonds (distance) C4'-P energy: -38.256
bonds (distance) P-C4' energy: -45.065
flat angles C4'-P-C4' energy: -46.349
flat angles P-C4'-P energy: -29.091
tors. eta vs tors. theta energy: -41.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -537.943812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.943812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.943812 (E_RNA)
where:
Base-Base interactions energy: -344.584
where: short stacking energy: -149.068
Base-Backbone interact. energy: -2.810
local terms energy: -190.550008
where:
bonds (distance) C4'-P energy: -33.943
bonds (distance) P-C4' energy: -36.421
flat angles C4'-P-C4' energy: -41.409
flat angles P-C4'-P energy: -33.976
tors. eta vs tors. theta energy: -44.802
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: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -406.022678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.022678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.022678 (E_RNA)
where:
Base-Base interactions energy: -257.719
where: short stacking energy: -117.581
Base-Backbone interact. energy: -0.672
local terms energy: -147.632032
where:
bonds (distance) C4'-P energy: -32.208
bonds (distance) P-C4' energy: -31.909
flat angles C4'-P-C4' energy: -34.489
flat angles P-C4'-P energy: -23.361
tors. eta vs tors. theta energy: -25.665
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: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -364.713759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.713759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.713759 (E_RNA)
where:
Base-Base interactions energy: -205.083
where: short stacking energy: -105.970
Base-Backbone interact. energy: -0.419
local terms energy: -159.212013
where:
bonds (distance) C4'-P energy: -41.186
bonds (distance) P-C4' energy: -30.946
flat angles C4'-P-C4' energy: -39.356
flat angles P-C4'-P energy: -28.763
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -321.005435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.005435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.005435 (E_RNA)
where:
Base-Base interactions energy: -171.822
where: short stacking energy: -87.849
Base-Backbone interact. energy: -0.972
local terms energy: -148.211727
where:
bonds (distance) C4'-P energy: -45.622
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -11.526
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: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -737.382069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.382069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.382069 (E_RNA)
where:
Base-Base interactions energy: -504.379
where: short stacking energy: -209.111
Base-Backbone interact. energy: -1.273
local terms energy: -231.730185
where:
bonds (distance) C4'-P energy: -47.800
bonds (distance) P-C4' energy: -44.859
flat angles C4'-P-C4' energy: -49.775
flat angles P-C4'-P energy: -29.848
tors. eta vs tors. theta energy: -59.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -714.044405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.044405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.044405 (E_RNA)
where:
Base-Base interactions energy: -495.888
where: short stacking energy: -211.945
Base-Backbone interact. energy: -1.650
local terms energy: -216.506492
where:
bonds (distance) C4'-P energy: -41.851
bonds (distance) P-C4' energy: -38.092
flat angles C4'-P-C4' energy: -47.578
flat angles P-C4'-P energy: -25.245
tors. eta vs tors. theta energy: -63.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -701.850858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.850858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.850858 (E_RNA)
where:
Base-Base interactions energy: -486.963
where: short stacking energy: -206.771
Base-Backbone interact. energy: -1.315
local terms energy: -213.573437
where:
bonds (distance) C4'-P energy: -36.312
bonds (distance) P-C4' energy: -43.908
flat angles C4'-P-C4' energy: -43.833
flat angles P-C4'-P energy: -34.175
tors. eta vs tors. theta energy: -55.345
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: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -662.744363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.744363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.744363 (E_RNA)
where:
Base-Base interactions energy: -441.508
where: short stacking energy: -197.951
Base-Backbone interact. energy: -0.634
local terms energy: -220.601761
where:
bonds (distance) C4'-P energy: -43.338
bonds (distance) P-C4' energy: -40.693
flat angles C4'-P-C4' energy: -45.118
flat angles P-C4'-P energy: -35.222
tors. eta vs tors. theta energy: -56.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -585.213377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.213377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.213377 (E_RNA)
where:
Base-Base interactions energy: -394.203
where: short stacking energy: -162.356
Base-Backbone interact. energy: -1.611
local terms energy: -189.399582
where:
bonds (distance) C4'-P energy: -46.493
bonds (distance) P-C4' energy: -46.278
flat angles C4'-P-C4' energy: -37.805
flat angles P-C4'-P energy: -22.891
tors. eta vs tors. theta energy: -35.932
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: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -563.195688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.195688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.195688 (E_RNA)
where:
Base-Base interactions energy: -362.673
where: short stacking energy: -162.014
Base-Backbone interact. energy: 1.481
local terms energy: -202.003067
where:
bonds (distance) C4'-P energy: -37.907
bonds (distance) P-C4' energy: -39.697
flat angles C4'-P-C4' energy: -46.450
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -43.147
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: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -525.078854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.078854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.078854 (E_RNA)
where:
Base-Base interactions energy: -342.277
where: short stacking energy: -148.294
Base-Backbone interact. energy: 1.382
local terms energy: -184.184144
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -43.631
flat angles C4'-P-C4' energy: -36.986
flat angles P-C4'-P energy: -29.309
tors. eta vs tors. theta energy: -37.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -369.861584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.861584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.861584 (E_RNA)
where:
Base-Base interactions energy: -221.933
where: short stacking energy: -100.628
Base-Backbone interact. energy: 0.848
local terms energy: -148.776451
where:
bonds (distance) C4'-P energy: -37.543
bonds (distance) P-C4' energy: -47.153
flat angles C4'-P-C4' energy: -31.399
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -350.115919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.115919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.115919 (E_RNA)
where:
Base-Base interactions energy: -206.010
where: short stacking energy: -94.607
Base-Backbone interact. energy: 3.147
local terms energy: -147.252908
where:
bonds (distance) C4'-P energy: -28.891
bonds (distance) P-C4' energy: -40.058
flat angles C4'-P-C4' energy: -31.622
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -303.420578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.420578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.420578 (E_RNA)
where:
Base-Base interactions energy: -176.004
where: short stacking energy: -97.268
Base-Backbone interact. energy: -1.021
local terms energy: -126.395873
where:
bonds (distance) C4'-P energy: -34.606
bonds (distance) P-C4' energy: -36.041
flat angles C4'-P-C4' energy: -23.834
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -11.643
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: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -730.014808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.014808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.014808 (E_RNA)
where:
Base-Base interactions energy: -493.830
where: short stacking energy: -220.538
Base-Backbone interact. energy: -2.472
local terms energy: -233.713321
where:
bonds (distance) C4'-P energy: -45.145
bonds (distance) P-C4' energy: -45.944
flat angles C4'-P-C4' energy: -50.203
flat angles P-C4'-P energy: -29.040
tors. eta vs tors. theta energy: -63.381
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: 6
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -731.368864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.368864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.368864 (E_RNA)
where:
Base-Base interactions energy: -499.122
where: short stacking energy: -220.725
Base-Backbone interact. energy: -2.756
local terms energy: -229.491138
where:
bonds (distance) C4'-P energy: -48.769
bonds (distance) P-C4' energy: -45.182
flat angles C4'-P-C4' energy: -47.086
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -57.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -709.767746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.767746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.767746 (E_RNA)
where:
Base-Base interactions energy: -481.394
where: short stacking energy: -196.003
Base-Backbone interact. energy: -0.729
local terms energy: -227.644440
where:
bonds (distance) C4'-P energy: -45.547
bonds (distance) P-C4' energy: -39.604
flat angles C4'-P-C4' energy: -44.686
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -68.385
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: 104
Temperature: 1.050000
Total energy: -650.835825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.835825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.835825 (E_RNA)
where:
Base-Base interactions energy: -440.279
where: short stacking energy: -210.900
Base-Backbone interact. energy: -1.601
local terms energy: -208.955517
where:
bonds (distance) C4'-P energy: -33.536
bonds (distance) P-C4' energy: -42.694
flat angles C4'-P-C4' energy: -45.702
flat angles P-C4'-P energy: -28.416
tors. eta vs tors. theta energy: -58.607
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: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -594.546782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.546782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.546782 (E_RNA)
where:
Base-Base interactions energy: -395.399
where: short stacking energy: -168.306
Base-Backbone interact. energy: -0.590
local terms energy: -198.557364
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -40.491
flat angles C4'-P-C4' energy: -44.357
flat angles P-C4'-P energy: -34.418
tors. eta vs tors. theta energy: -42.688
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: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -539.639810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.639810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.639810 (E_RNA)
where:
Base-Base interactions energy: -351.391
where: short stacking energy: -149.679
Base-Backbone interact. energy: -2.890
local terms energy: -185.358172
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -44.249
flat angles C4'-P-C4' energy: -42.422
flat angles P-C4'-P energy: -30.421
tors. eta vs tors. theta energy: -35.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -535.841687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.841687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.841687 (E_RNA)
where:
Base-Base interactions energy: -344.769
where: short stacking energy: -153.285
Base-Backbone interact. energy: -1.162
local terms energy: -189.910713
where:
bonds (distance) C4'-P energy: -46.899
bonds (distance) P-C4' energy: -40.318
flat angles C4'-P-C4' energy: -41.102
flat angles P-C4'-P energy: -29.050
tors. eta vs tors. theta energy: -32.542
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: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -362.846665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.846665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.846665 (E_RNA)
where:
Base-Base interactions energy: -214.241
where: short stacking energy: -94.974
Base-Backbone interact. energy: -2.039
local terms energy: -146.566561
where:
bonds (distance) C4'-P energy: -35.396
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -39.450
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -348.581651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.581651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.581651 (E_RNA)
where:
Base-Base interactions energy: -213.201
where: short stacking energy: -105.667
Base-Backbone interact. energy: 0.002
local terms energy: -135.382396
where:
bonds (distance) C4'-P energy: -32.697
bonds (distance) P-C4' energy: -30.266
flat angles C4'-P-C4' energy: -39.334
flat angles P-C4'-P energy: -19.488
tors. eta vs tors. theta energy: -13.597
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: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -296.652567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.652567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.652567 (E_RNA)
where:
Base-Base interactions energy: -168.519
where: short stacking energy: -88.413
Base-Backbone interact. energy: -0.132
local terms energy: -128.001796
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -38.838
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -20.513
tors. eta vs tors. theta energy: -9.305
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: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -726.155979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.155979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.155979 (E_RNA)
where:
Base-Base interactions energy: -507.748
where: short stacking energy: -210.894
Base-Backbone interact. energy: -0.119
local terms energy: -218.289166
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -43.086
flat angles C4'-P-C4' energy: -46.197
flat angles P-C4'-P energy: -21.711
tors. eta vs tors. theta energy: -61.393
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: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -717.974871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.974871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.974871 (E_RNA)
where:
Base-Base interactions energy: -482.653
where: short stacking energy: -201.980
Base-Backbone interact. energy: -0.227
local terms energy: -235.094958
where:
bonds (distance) C4'-P energy: -46.110
bonds (distance) P-C4' energy: -41.030
flat angles C4'-P-C4' energy: -50.816
flat angles P-C4'-P energy: -34.681
tors. eta vs tors. theta energy: -62.457
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: 3, replica: 6
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -713.181806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.181806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.181806 (E_RNA)
where:
Base-Base interactions energy: -501.231
where: short stacking energy: -197.449
Base-Backbone interact. energy: -1.733
local terms energy: -210.217891
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -43.237
flat angles P-C4'-P energy: -24.733
tors. eta vs tors. theta energy: -60.760
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: 1
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -650.022399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.022399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.022399 (E_RNA)
where:
Base-Base interactions energy: -421.901
where: short stacking energy: -205.208
Base-Backbone interact. energy: 0.238
local terms energy: -228.359657
where:
bonds (distance) C4'-P energy: -49.527
bonds (distance) P-C4' energy: -38.149
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -28.089
tors. eta vs tors. theta energy: -57.120
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: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -617.721007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.721007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.721007 (E_RNA)
where:
Base-Base interactions energy: -430.708
where: short stacking energy: -191.976
Base-Backbone interact. energy: -1.718
local terms energy: -185.294731
where:
bonds (distance) C4'-P energy: -30.942
bonds (distance) P-C4' energy: -40.072
flat angles C4'-P-C4' energy: -40.850
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -48.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -539.370838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.370838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.370838 (E_RNA)
where:
Base-Base interactions energy: -338.378
where: short stacking energy: -161.730
Base-Backbone interact. energy: -0.638
local terms energy: -200.354977
where:
bonds (distance) C4'-P energy: -32.792
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -46.253
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: -42.707
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: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -549.276690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.276690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.276690 (E_RNA)
where:
Base-Base interactions energy: -371.305
where: short stacking energy: -155.316
Base-Backbone interact. energy: -1.201
local terms energy: -176.771374
where:
bonds (distance) C4'-P energy: -41.549
bonds (distance) P-C4' energy: -32.051
flat angles C4'-P-C4' energy: -41.426
flat angles P-C4'-P energy: -24.564
tors. eta vs tors. theta energy: -37.182
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: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -408.647504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.647504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.647504 (E_RNA)
where:
Base-Base interactions energy: -259.104
where: short stacking energy: -120.235
Base-Backbone interact. energy: -0.057
local terms energy: -149.486217
where:
bonds (distance) C4'-P energy: -33.317
bonds (distance) P-C4' energy: -37.394
flat angles C4'-P-C4' energy: -28.907
flat angles P-C4'-P energy: -23.576
tors. eta vs tors. theta energy: -26.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -330.802256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.802256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.802256 (E_RNA)
where:
Base-Base interactions energy: -180.371
where: short stacking energy: -101.042
Base-Backbone interact. energy: -0.573
local terms energy: -149.858512
where:
bonds (distance) C4'-P energy: -34.484
bonds (distance) P-C4' energy: -38.160
flat angles C4'-P-C4' energy: -41.598
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -299.547907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.547907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.547907 (E_RNA)
where:
Base-Base interactions energy: -175.242
where: short stacking energy: -78.325
Base-Backbone interact. energy: 2.502
local terms energy: -126.807287
where:
bonds (distance) C4'-P energy: -36.940
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -35.697
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: -1.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -747.383270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.383270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.383270 (E_RNA)
where:
Base-Base interactions energy: -508.204
where: short stacking energy: -220.417
Base-Backbone interact. energy: -0.366
local terms energy: -238.813245
where:
bonds (distance) C4'-P energy: -44.430
bonds (distance) P-C4' energy: -44.902
flat angles C4'-P-C4' energy: -48.145
flat angles P-C4'-P energy: -35.151
tors. eta vs tors. theta energy: -66.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -740.806172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.806172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.806172 (E_RNA)
where:
Base-Base interactions energy: -520.312
where: short stacking energy: -207.330
Base-Backbone interact. energy: 2.780
local terms energy: -223.274145
where:
bonds (distance) C4'-P energy: -42.373
bonds (distance) P-C4' energy: -39.496
flat angles C4'-P-C4' energy: -47.902
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -62.748
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: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -711.337560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.337560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.337560 (E_RNA)
where:
Base-Base interactions energy: -496.942
where: short stacking energy: -196.222
Base-Backbone interact. energy: -1.024
local terms energy: -213.372226
where:
bonds (distance) C4'-P energy: -37.748
bonds (distance) P-C4' energy: -46.920
flat angles C4'-P-C4' energy: -41.953
flat angles P-C4'-P energy: -28.596
tors. eta vs tors. theta energy: -58.154
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: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -636.837041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.837041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.837041 (E_RNA)
where:
Base-Base interactions energy: -410.047
where: short stacking energy: -200.526
Base-Backbone interact. energy: -0.850
local terms energy: -225.939996
where:
bonds (distance) C4'-P energy: -46.260
bonds (distance) P-C4' energy: -44.780
flat angles C4'-P-C4' energy: -49.264
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -58.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -620.838563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.838563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.838563 (E_RNA)
where:
Base-Base interactions energy: -428.172
where: short stacking energy: -194.177
Base-Backbone interact. energy: -0.471
local terms energy: -192.196392
where:
bonds (distance) C4'-P energy: -33.428
bonds (distance) P-C4' energy: -34.396
flat angles C4'-P-C4' energy: -44.721
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -55.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -555.625912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.625912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.625912 (E_RNA)
where:
Base-Base interactions energy: -361.176
where: short stacking energy: -160.120
Base-Backbone interact. energy: -0.765
local terms energy: -193.684600
where:
bonds (distance) C4'-P energy: -37.723
bonds (distance) P-C4' energy: -43.842
flat angles C4'-P-C4' energy: -44.018
flat angles P-C4'-P energy: -22.412
tors. eta vs tors. theta energy: -45.690
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: 5
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -540.356829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.356829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.356829 (E_RNA)
where:
Base-Base interactions energy: -360.496
where: short stacking energy: -149.571
Base-Backbone interact. energy: 0.831
local terms energy: -180.691895
where:
bonds (distance) C4'-P energy: -42.715
bonds (distance) P-C4' energy: -39.804
flat angles C4'-P-C4' energy: -41.878
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -35.997
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: 8, replica: 10
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -351.783565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.783565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.783565 (E_RNA)
where:
Base-Base interactions energy: -212.571
where: short stacking energy: -111.674
Base-Backbone interact. energy: 1.402
local terms energy: -140.614264
where:
bonds (distance) C4'-P energy: -41.830
bonds (distance) P-C4' energy: -42.397
flat angles C4'-P-C4' energy: -34.673
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -317.293119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.293119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.293119 (E_RNA)
where:
Base-Base interactions energy: -178.941
where: short stacking energy: -94.855
Base-Backbone interact. energy: -0.168
local terms energy: -138.184723
where:
bonds (distance) C4'-P energy: -36.669
bonds (distance) P-C4' energy: -35.107
flat angles C4'-P-C4' energy: -37.616
flat angles P-C4'-P energy: -24.194
tors. eta vs tors. theta energy: -4.600
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: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -276.756149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.756149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.756149 (E_RNA)
where:
Base-Base interactions energy: -154.666
where: short stacking energy: -72.202
Base-Backbone interact. energy: -0.754
local terms energy: -121.336562
where:
bonds (distance) C4'-P energy: -37.857
bonds (distance) P-C4' energy: -37.577
flat angles C4'-P-C4' energy: -28.406
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: 1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -739.722199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.722199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.722199 (E_RNA)
where:
Base-Base interactions energy: -503.014
where: short stacking energy: -226.897
Base-Backbone interact. energy: -0.275
local terms energy: -236.432750
where:
bonds (distance) C4'-P energy: -42.287
bonds (distance) P-C4' energy: -44.936
flat angles C4'-P-C4' energy: -47.602
flat angles P-C4'-P energy: -35.785
tors. eta vs tors. theta energy: -65.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -709.259114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.259114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.259114 (E_RNA)
where:
Base-Base interactions energy: -487.252
where: short stacking energy: -204.058
Base-Backbone interact. energy: -1.843
local terms energy: -220.163984
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -41.053
flat angles C4'-P-C4' energy: -43.525
flat angles P-C4'-P energy: -31.150
tors. eta vs tors. theta energy: -60.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -699.192556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.192556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.192556 (E_RNA)
where:
Base-Base interactions energy: -482.586
where: short stacking energy: -209.792
Base-Backbone interact. energy: -1.597
local terms energy: -215.009454
where:
bonds (distance) C4'-P energy: -43.879
bonds (distance) P-C4' energy: -38.720
flat angles C4'-P-C4' energy: -45.138
flat angles P-C4'-P energy: -29.553
tors. eta vs tors. theta energy: -57.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -641.938668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.938668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.938668 (E_RNA)
where:
Base-Base interactions energy: -414.551
where: short stacking energy: -194.071
Base-Backbone interact. energy: -0.753
local terms energy: -226.634916
where:
bonds (distance) C4'-P energy: -41.451
bonds (distance) P-C4' energy: -45.410
flat angles C4'-P-C4' energy: -51.044
flat angles P-C4'-P energy: -32.080
tors. eta vs tors. theta energy: -56.651
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: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -628.108352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.108352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.108352 (E_RNA)
where:
Base-Base interactions energy: -441.316
where: short stacking energy: -177.117
Base-Backbone interact. energy: 2.473
local terms energy: -189.265369
where:
bonds (distance) C4'-P energy: -35.373
bonds (distance) P-C4' energy: -34.246
flat angles C4'-P-C4' energy: -46.112
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -42.779
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: 7
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -537.344983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.344983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.344983 (E_RNA)
where:
Base-Base interactions energy: -356.908
where: short stacking energy: -156.152
Base-Backbone interact. energy: 0.659
local terms energy: -181.095612
where:
bonds (distance) C4'-P energy: -45.447
bonds (distance) P-C4' energy: -34.564
flat angles C4'-P-C4' energy: -35.016
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -35.637
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: 7, replica: 5
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -479.672910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.672910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.672910 (E_RNA)
where:
Base-Base interactions energy: -309.662
where: short stacking energy: -142.182
Base-Backbone interact. energy: -0.286
local terms energy: -169.725753
where:
bonds (distance) C4'-P energy: -31.483
bonds (distance) P-C4' energy: -39.973
flat angles C4'-P-C4' energy: -45.212
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -27.531
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: 8, replica: 10
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -361.118043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.118043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.118043 (E_RNA)
where:
Base-Base interactions energy: -204.480
where: short stacking energy: -114.753
Base-Backbone interact. energy: -0.770
local terms energy: -155.868885
where:
bonds (distance) C4'-P energy: -31.516
bonds (distance) P-C4' energy: -40.612
flat angles C4'-P-C4' energy: -32.422
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -29.053
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: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -350.800536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.800536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.800536 (E_RNA)
where:
Base-Base interactions energy: -198.533
where: short stacking energy: -113.680
Base-Backbone interact. energy: -1.443
local terms energy: -150.824262
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -43.299
flat angles C4'-P-C4' energy: -38.462
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: -25.483
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: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -290.136214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.136214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.136214 (E_RNA)
where:
Base-Base interactions energy: -143.663
where: short stacking energy: -63.251
Base-Backbone interact. energy: -1.478
local terms energy: -144.995468
where:
bonds (distance) C4'-P energy: -35.667
bonds (distance) P-C4' energy: -43.425
flat angles C4'-P-C4' energy: -37.554
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -733.017161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.017161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.017161 (E_RNA)
where:
Base-Base interactions energy: -499.453
where: short stacking energy: -229.197
Base-Backbone interact. energy: -0.198
local terms energy: -233.365541
where:
bonds (distance) C4'-P energy: -40.983
bonds (distance) P-C4' energy: -43.293
flat angles C4'-P-C4' energy: -46.643
flat angles P-C4'-P energy: -36.155
tors. eta vs tors. theta energy: -66.291
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: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -705.943726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.943726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.943726 (E_RNA)
where:
Base-Base interactions energy: -499.710
where: short stacking energy: -207.726
Base-Backbone interact. energy: -0.909
local terms energy: -205.324692
where:
bonds (distance) C4'-P energy: -35.857
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -44.220
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -57.621
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: 3, replica: 4
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -714.431359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.431359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.431359 (E_RNA)
where:
Base-Base interactions energy: -498.270
where: short stacking energy: -203.143
Base-Backbone interact. energy: 1.114
local terms energy: -217.275313
where:
bonds (distance) C4'-P energy: -40.842
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -37.019
tors. eta vs tors. theta energy: -60.855
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: 1
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -655.508290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.508290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.508290 (E_RNA)
where:
Base-Base interactions energy: -438.628
where: short stacking energy: -217.673
Base-Backbone interact. energy: -1.311
local terms energy: -215.569373
where:
bonds (distance) C4'-P energy: -43.320
bonds (distance) P-C4' energy: -32.392
flat angles C4'-P-C4' energy: -46.972
flat angles P-C4'-P energy: -29.174
tors. eta vs tors. theta energy: -63.711
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: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -603.630178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.630178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.630178 (E_RNA)
where:
Base-Base interactions energy: -408.396
where: short stacking energy: -168.441
Base-Backbone interact. energy: 2.455
local terms energy: -197.689675
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -33.495
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -32.690
tors. eta vs tors. theta energy: -49.373
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: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -548.461834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.461834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.461834 (E_RNA)
where:
Base-Base interactions energy: -370.340
where: short stacking energy: -175.939
Base-Backbone interact. energy: -0.558
local terms energy: -177.564518
where:
bonds (distance) C4'-P energy: -37.818
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -39.449
flat angles P-C4'-P energy: -28.990
tors. eta vs tors. theta energy: -31.375
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: 108
Temperature: 1.200000
Total energy: -437.777261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.777261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.777261 (E_RNA)
where:
Base-Base interactions energy: -271.499
where: short stacking energy: -123.850
Base-Backbone interact. energy: -1.415
local terms energy: -164.863067
where:
bonds (distance) C4'-P energy: -33.624
bonds (distance) P-C4' energy: -45.139
flat angles C4'-P-C4' energy: -30.085
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -32.455
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: 8, replica: 10
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -364.339846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.339846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.339846 (E_RNA)
where:
Base-Base interactions energy: -201.868
where: short stacking energy: -104.210
Base-Backbone interact. energy: 3.168
local terms energy: -165.640466
where:
bonds (distance) C4'-P energy: -37.307
bonds (distance) P-C4' energy: -43.345
flat angles C4'-P-C4' energy: -37.998
flat angles P-C4'-P energy: -26.274
tors. eta vs tors. theta energy: -20.716
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: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -316.705130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.705130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.705130 (E_RNA)
where:
Base-Base interactions energy: -190.396
where: short stacking energy: -86.005
Base-Backbone interact. energy: 2.064
local terms energy: -128.372911
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -37.280
flat angles C4'-P-C4' energy: -26.653
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -8.632
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: 9
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -273.111572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.111572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.111572 (E_RNA)
where:
Base-Base interactions energy: -130.165
where: short stacking energy: -73.195
Base-Backbone interact. energy: -1.326
local terms energy: -141.621055
where:
bonds (distance) C4'-P energy: -42.167
bonds (distance) P-C4' energy: -34.258
flat angles C4'-P-C4' energy: -37.305
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -12.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -723.938172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.938172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.938172 (E_RNA)
where:
Base-Base interactions energy: -488.674
where: short stacking energy: -209.807
Base-Backbone interact. energy: -1.209
local terms energy: -234.055344
where:
bonds (distance) C4'-P energy: -44.786
bonds (distance) P-C4' energy: -41.963
flat angles C4'-P-C4' energy: -48.477
flat angles P-C4'-P energy: -34.592
tors. eta vs tors. theta energy: -64.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -712.119439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.119439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.119439 (E_RNA)
where:
Base-Base interactions energy: -491.526
where: short stacking energy: -203.980
Base-Backbone interact. energy: -1.248
local terms energy: -219.344607
where:
bonds (distance) C4'-P energy: -43.780
bonds (distance) P-C4' energy: -42.458
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -29.576
tors. eta vs tors. theta energy: -57.822
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: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -734.401430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.401430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.401430 (E_RNA)
where:
Base-Base interactions energy: -516.251
where: short stacking energy: -208.374
Base-Backbone interact. energy: -1.689
local terms energy: -216.461504
where:
bonds (distance) C4'-P energy: -36.628
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -43.231
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -62.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -655.416207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.416207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.416207 (E_RNA)
where:
Base-Base interactions energy: -444.073
where: short stacking energy: -204.021
Base-Backbone interact. energy: -0.870
local terms energy: -210.473635
where:
bonds (distance) C4'-P energy: -33.743
bonds (distance) P-C4' energy: -43.303
flat angles C4'-P-C4' energy: -46.827
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -55.495
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: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -613.680387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.680387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.680387 (E_RNA)
where:
Base-Base interactions energy: -431.028
where: short stacking energy: -185.435
Base-Backbone interact. energy: 1.427
local terms energy: -184.079081
where:
bonds (distance) C4'-P energy: -36.438
bonds (distance) P-C4' energy: -37.102
flat angles C4'-P-C4' energy: -48.316
flat angles P-C4'-P energy: -20.956
tors. eta vs tors. theta energy: -41.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -539.853491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.853491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.853491 (E_RNA)
where:
Base-Base interactions energy: -366.306
where: short stacking energy: -159.781
Base-Backbone interact. energy: -0.097
local terms energy: -173.450210
where:
bonds (distance) C4'-P energy: -45.707
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -37.680
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -41.514
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: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -471.283555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.283555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.283555 (E_RNA)
where:
Base-Base interactions energy: -297.229
where: short stacking energy: -135.038
Base-Backbone interact. energy: -0.514
local terms energy: -173.540645
where:
bonds (distance) C4'-P energy: -41.419
bonds (distance) P-C4' energy: -42.525
flat angles C4'-P-C4' energy: -44.075
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -30.152
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: 8, replica: 10
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -345.204520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.204520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.204520 (E_RNA)
where:
Base-Base interactions energy: -195.792
where: short stacking energy: -96.348
Base-Backbone interact. energy: -0.683
local terms energy: -148.729744
where:
bonds (distance) C4'-P energy: -31.742
bonds (distance) P-C4' energy: -39.565
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -19.665
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: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -300.500336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.500336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.500336 (E_RNA)
where:
Base-Base interactions energy: -167.506
where: short stacking energy: -94.580
Base-Backbone interact. energy: -0.839
local terms energy: -132.155505
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -38.251
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -8.446
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: 10, replica: 9
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -265.952807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.952807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.952807 (E_RNA)
where:
Base-Base interactions energy: -140.375
where: short stacking energy: -83.525
Base-Backbone interact. energy: -0.976
local terms energy: -124.601933
where:
bonds (distance) C4'-P energy: -40.245
bonds (distance) P-C4' energy: -40.297
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -2.452
tors. eta vs tors. theta energy: -9.023
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: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -741.092249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.092249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.092249 (E_RNA)
where:
Base-Base interactions energy: -525.677
where: short stacking energy: -218.326
Base-Backbone interact. energy: -2.298
local terms energy: -213.116897
where:
bonds (distance) C4'-P energy: -39.658
bonds (distance) P-C4' energy: -47.495
flat angles C4'-P-C4' energy: -45.089
flat angles P-C4'-P energy: -23.143
tors. eta vs tors. theta energy: -57.732
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: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -740.558810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.558810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.558810 (E_RNA)
where:
Base-Base interactions energy: -498.280
where: short stacking energy: -223.049
Base-Backbone interact. energy: -0.777
local terms energy: -241.501738
where:
bonds (distance) C4'-P energy: -47.046
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -50.236
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -63.880
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: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -723.727699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.727699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.727699 (E_RNA)
where:
Base-Base interactions energy: -504.838
where: short stacking energy: -193.179
Base-Backbone interact. energy: 1.506
local terms energy: -220.395962
where:
bonds (distance) C4'-P energy: -38.387
bonds (distance) P-C4' energy: -47.097
flat angles C4'-P-C4' energy: -43.126
flat angles P-C4'-P energy: -31.446
tors. eta vs tors. theta energy: -60.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -660.475474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.475474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.475474 (E_RNA)
where:
Base-Base interactions energy: -439.634
where: short stacking energy: -204.856
Base-Backbone interact. energy: -0.484
local terms energy: -220.357114
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -41.559
flat angles C4'-P-C4' energy: -48.202
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -60.429
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: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -647.804047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.804047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.804047 (E_RNA)
where:
Base-Base interactions energy: -437.770
where: short stacking energy: -196.469
Base-Backbone interact. energy: -1.219
local terms energy: -208.815515
where:
bonds (distance) C4'-P energy: -45.234
bonds (distance) P-C4' energy: -33.673
flat angles C4'-P-C4' energy: -46.711
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -48.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -565.329559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.329559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.329559 (E_RNA)
where:
Base-Base interactions energy: -383.690
where: short stacking energy: -181.869
Base-Backbone interact. energy: -0.577
local terms energy: -181.062893
where:
bonds (distance) C4'-P energy: -43.875
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -36.330
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -48.437
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: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -423.407200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.407200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.407200 (E_RNA)
where:
Base-Base interactions energy: -269.879
where: short stacking energy: -138.802
Base-Backbone interact. energy: 1.970
local terms energy: -155.498742
where:
bonds (distance) C4'-P energy: -30.554
bonds (distance) P-C4' energy: -35.818
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -28.749
tors. eta vs tors. theta energy: -22.244
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: 10
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -360.488940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.488940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.488940 (E_RNA)
where:
Base-Base interactions energy: -218.706
where: short stacking energy: -109.153
Base-Backbone interact. energy: -2.713
local terms energy: -139.070272
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -35.765
flat angles C4'-P-C4' energy: -31.478
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -20.840
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: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -342.242683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.242683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.242683 (E_RNA)
where:
Base-Base interactions energy: -200.477
where: short stacking energy: -105.838
Base-Backbone interact. energy: 2.569
local terms energy: -144.334543
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -30.612
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -18.574
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -266.177051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.177051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.177051 (E_RNA)
where:
Base-Base interactions energy: -147.114
where: short stacking energy: -88.661
Base-Backbone interact. energy: -0.407
local terms energy: -118.655642
where:
bonds (distance) C4'-P energy: -28.328
bonds (distance) P-C4' energy: -34.042
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -5.481
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: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -731.602829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.602829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.602829 (E_RNA)
where:
Base-Base interactions energy: -509.989
where: short stacking energy: -212.383
Base-Backbone interact. energy: 0.677
local terms energy: -222.290594
where:
bonds (distance) C4'-P energy: -38.323
bonds (distance) P-C4' energy: -45.831
flat angles C4'-P-C4' energy: -47.230
flat angles P-C4'-P energy: -35.197
tors. eta vs tors. theta energy: -55.711
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: 2, replica: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -743.363597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.363597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.363597 (E_RNA)
where:
Base-Base interactions energy: -522.647
where: short stacking energy: -201.722
Base-Backbone interact. energy: -1.618
local terms energy: -219.098156
where:
bonds (distance) C4'-P energy: -44.751
bonds (distance) P-C4' energy: -45.596
flat angles C4'-P-C4' energy: -42.966
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -59.771
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: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -715.785880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.785880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.785880 (E_RNA)
where:
Base-Base interactions energy: -494.052
where: short stacking energy: -228.840
Base-Backbone interact. energy: -0.727
local terms energy: -221.007222
where:
bonds (distance) C4'-P energy: -45.511
bonds (distance) P-C4' energy: -35.597
flat angles C4'-P-C4' energy: -47.473
flat angles P-C4'-P energy: -31.727
tors. eta vs tors. theta energy: -60.699
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: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -648.701957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.701957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.701957 (E_RNA)
where:
Base-Base interactions energy: -448.960
where: short stacking energy: -184.913
Base-Backbone interact. energy: 0.746
local terms energy: -200.487859
where:
bonds (distance) C4'-P energy: -43.383
bonds (distance) P-C4' energy: -35.534
flat angles C4'-P-C4' energy: -45.978
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -51.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -629.922149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.922149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.922149 (E_RNA)
where:
Base-Base interactions energy: -419.076
where: short stacking energy: -197.912
Base-Backbone interact. energy: -0.270
local terms energy: -210.575360
where:
bonds (distance) C4'-P energy: -39.488
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -45.770
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -62.717
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: 6, replica: 7
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -560.452507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.452507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.452507 (E_RNA)
where:
Base-Base interactions energy: -377.379
where: short stacking energy: -165.965
Base-Backbone interact. energy: -1.440
local terms energy: -181.632718
where:
bonds (distance) C4'-P energy: -33.564
bonds (distance) P-C4' energy: -42.265
flat angles C4'-P-C4' energy: -36.123
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -44.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -530.841037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.841037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.841037 (E_RNA)
where:
Base-Base interactions energy: -350.668
where: short stacking energy: -146.683
Base-Backbone interact. energy: -0.539
local terms energy: -179.633875
where:
bonds (distance) C4'-P energy: -34.026
bonds (distance) P-C4' energy: -43.851
flat angles C4'-P-C4' energy: -43.344
flat angles P-C4'-P energy: -22.711
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: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -412.270929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.270929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.270929 (E_RNA)
where:
Base-Base interactions energy: -244.181
where: short stacking energy: -105.148
Base-Backbone interact. energy: -2.274
local terms energy: -165.816459
where:
bonds (distance) C4'-P energy: -37.876
bonds (distance) P-C4' energy: -40.261
flat angles C4'-P-C4' energy: -42.460
flat angles P-C4'-P energy: -19.278
tors. eta vs tors. theta energy: -25.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -333.664966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.664966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.664966 (E_RNA)
where:
Base-Base interactions energy: -187.793
where: short stacking energy: -115.459
Base-Backbone interact. energy: -0.766
local terms energy: -145.106451
where:
bonds (distance) C4'-P energy: -28.495
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -45.850
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: -17.751
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: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -272.174216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.174216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.174216 (E_RNA)
where:
Base-Base interactions energy: -136.694
where: short stacking energy: -79.245
Base-Backbone interact. energy: -1.442
local terms energy: -134.038444
where:
bonds (distance) C4'-P energy: -41.717
bonds (distance) P-C4' energy: -34.447
flat angles C4'-P-C4' energy: -39.428
flat angles P-C4'-P energy: -18.487
tors. eta vs tors. theta energy: 0.041
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: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -749.297174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.297174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.297174 (E_RNA)
where:
Base-Base interactions energy: -524.414
where: short stacking energy: -214.477
Base-Backbone interact. energy: -1.496
local terms energy: -223.386862
where:
bonds (distance) C4'-P energy: -44.747
bonds (distance) P-C4' energy: -37.172
flat angles C4'-P-C4' energy: -48.333
flat angles P-C4'-P energy: -33.575
tors. eta vs tors. theta energy: -59.560
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: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -715.886428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.886428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.886428 (E_RNA)
where:
Base-Base interactions energy: -489.318
where: short stacking energy: -217.152
Base-Backbone interact. energy: -1.135
local terms energy: -225.433552
where:
bonds (distance) C4'-P energy: -40.693
bonds (distance) P-C4' energy: -48.024
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -34.485
tors. eta vs tors. theta energy: -55.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -713.742707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.742707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.742707 (E_RNA)
where:
Base-Base interactions energy: -480.464
where: short stacking energy: -215.652
Base-Backbone interact. energy: 0.762
local terms energy: -234.040797
where:
bonds (distance) C4'-P energy: -41.750
bonds (distance) P-C4' energy: -43.739
flat angles C4'-P-C4' energy: -50.244
flat angles P-C4'-P energy: -33.714
tors. eta vs tors. theta energy: -64.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -662.484932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.484932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.484932 (E_RNA)
where:
Base-Base interactions energy: -447.355
where: short stacking energy: -198.584
Base-Backbone interact. energy: -0.780
local terms energy: -214.350144
where:
bonds (distance) C4'-P energy: -40.734
bonds (distance) P-C4' energy: -45.408
flat angles C4'-P-C4' energy: -48.272
flat angles P-C4'-P energy: -26.821
tors. eta vs tors. theta energy: -53.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -588.529266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.529266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.529266 (E_RNA)
where:
Base-Base interactions energy: -385.469
where: short stacking energy: -180.988
Base-Backbone interact. energy: 0.251
local terms energy: -203.311002
where:
bonds (distance) C4'-P energy: -40.639
bonds (distance) P-C4' energy: -44.780
flat angles C4'-P-C4' energy: -41.824
flat angles P-C4'-P energy: -29.620
tors. eta vs tors. theta energy: -46.448
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: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -600.285349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.285349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.285349 (E_RNA)
where:
Base-Base interactions energy: -403.108
where: short stacking energy: -186.294
Base-Backbone interact. energy: -0.362
local terms energy: -196.815118
where:
bonds (distance) C4'-P energy: -35.556
bonds (distance) P-C4' energy: -27.883
flat angles C4'-P-C4' energy: -48.807
flat angles P-C4'-P energy: -32.833
tors. eta vs tors. theta energy: -51.736
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: 112
Temperature: 1.200000
Total energy: -512.102365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.102365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.102365 (E_RNA)
where:
Base-Base interactions energy: -328.974
where: short stacking energy: -157.650
Base-Backbone interact. energy: -0.199
local terms energy: -182.928625
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -42.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -396.197934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.197934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.197934 (E_RNA)
where:
Base-Base interactions energy: -245.197
where: short stacking energy: -125.894
Base-Backbone interact. energy: 3.778
local terms energy: -154.779183
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -26.674
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -337.519276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.519276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.519276 (E_RNA)
where:
Base-Base interactions energy: -179.113
where: short stacking energy: -113.114
Base-Backbone interact. energy: 0.110
local terms energy: -158.516140
where:
bonds (distance) C4'-P energy: -35.738
bonds (distance) P-C4' energy: -46.658
flat angles C4'-P-C4' energy: -31.201
flat angles P-C4'-P energy: -25.471
tors. eta vs tors. theta energy: -19.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -254.950344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.950344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.950344 (E_RNA)
where:
Base-Base interactions energy: -116.265
where: short stacking energy: -85.613
Base-Backbone interact. energy: -1.284
local terms energy: -137.401177
where:
bonds (distance) C4'-P energy: -42.353
bonds (distance) P-C4' energy: -32.033
flat angles C4'-P-C4' energy: -39.462
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -7.006
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: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -766.764482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.764482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.764482 (E_RNA)
where:
Base-Base interactions energy: -543.500
where: short stacking energy: -221.800
Base-Backbone interact. energy: -1.451
local terms energy: -221.813491
where:
bonds (distance) C4'-P energy: -41.943
bonds (distance) P-C4' energy: -47.179
flat angles C4'-P-C4' energy: -45.332
flat angles P-C4'-P energy: -26.196
tors. eta vs tors. theta energy: -61.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -708.331873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.331873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.331873 (E_RNA)
where:
Base-Base interactions energy: -469.866
where: short stacking energy: -219.388
Base-Backbone interact. energy: -0.392
local terms energy: -238.073292
where:
bonds (distance) C4'-P energy: -42.464
bonds (distance) P-C4' energy: -43.033
flat angles C4'-P-C4' energy: -53.164
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -63.189
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: 3, replica: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -698.522025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.522025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.522025 (E_RNA)
where:
Base-Base interactions energy: -483.822
where: short stacking energy: -194.879
Base-Backbone interact. energy: -1.504
local terms energy: -213.196702
where:
bonds (distance) C4'-P energy: -41.085
bonds (distance) P-C4' energy: -44.993
flat angles C4'-P-C4' energy: -49.040
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -44.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -649.378628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.378628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.378628 (E_RNA)
where:
Base-Base interactions energy: -431.266
where: short stacking energy: -185.622
Base-Backbone interact. energy: 1.202
local terms energy: -219.314926
where:
bonds (distance) C4'-P energy: -41.589
bonds (distance) P-C4' energy: -49.477
flat angles C4'-P-C4' energy: -41.465
flat angles P-C4'-P energy: -36.649
tors. eta vs tors. theta energy: -50.136
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: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -579.745511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.745511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.745511 (E_RNA)
where:
Base-Base interactions energy: -376.288
where: short stacking energy: -171.972
Base-Backbone interact. energy: -0.046
local terms energy: -203.411199
where:
bonds (distance) C4'-P energy: -42.221
bonds (distance) P-C4' energy: -43.350
flat angles C4'-P-C4' energy: -48.145
flat angles P-C4'-P energy: -31.417
tors. eta vs tors. theta energy: -38.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -610.026575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.026575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.026575 (E_RNA)
where:
Base-Base interactions energy: -407.014
where: short stacking energy: -189.462
Base-Backbone interact. energy: -0.761
local terms energy: -202.252325
where:
bonds (distance) C4'-P energy: -40.928
bonds (distance) P-C4' energy: -36.456
flat angles C4'-P-C4' energy: -37.515
flat angles P-C4'-P energy: -32.913
tors. eta vs tors. theta energy: -54.440
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: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -497.776053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.776053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.776053 (E_RNA)
where:
Base-Base interactions energy: -332.053
where: short stacking energy: -155.575
Base-Backbone interact. energy: -1.182
local terms energy: -164.541190
where:
bonds (distance) C4'-P energy: -26.497
bonds (distance) P-C4' energy: -39.498
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -44.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -382.389698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.389698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.389698 (E_RNA)
where:
Base-Base interactions energy: -230.651
where: short stacking energy: -102.455
Base-Backbone interact. energy: -0.509
local terms energy: -151.229602
where:
bonds (distance) C4'-P energy: -37.835
bonds (distance) P-C4' energy: -33.802
flat angles C4'-P-C4' energy: -40.700
flat angles P-C4'-P energy: -17.434
tors. eta vs tors. theta energy: -21.459
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: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -313.208655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.208655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.208655 (E_RNA)
where:
Base-Base interactions energy: -188.959
where: short stacking energy: -86.444
Base-Backbone interact. energy: -0.659
local terms energy: -123.590366
where:
bonds (distance) C4'-P energy: -33.738
bonds (distance) P-C4' energy: -37.321
flat angles C4'-P-C4' energy: -39.158
flat angles P-C4'-P energy: -3.756
tors. eta vs tors. theta energy: -9.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -218.281460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.281460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.281460 (E_RNA)
where:
Base-Base interactions energy: -96.920
where: short stacking energy: -67.039
Base-Backbone interact. energy: 0.250
local terms energy: -121.611842
where:
bonds (distance) C4'-P energy: -31.162
bonds (distance) P-C4' energy: -40.876
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -14.562
tors. eta vs tors. theta energy: -5.684
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: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -764.415722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.415722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.415722 (E_RNA)
where:
Base-Base interactions energy: -532.674
where: short stacking energy: -206.347
Base-Backbone interact. energy: -1.547
local terms energy: -230.194928
where:
bonds (distance) C4'-P energy: -51.518
bonds (distance) P-C4' energy: -46.859
flat angles C4'-P-C4' energy: -43.241
flat angles P-C4'-P energy: -26.923
tors. eta vs tors. theta energy: -61.654
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: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -717.400277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.400277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.400277 (E_RNA)
where:
Base-Base interactions energy: -487.335
where: short stacking energy: -222.954
Base-Backbone interact. energy: -0.020
local terms energy: -230.045861
where:
bonds (distance) C4'-P energy: -42.899
bonds (distance) P-C4' energy: -38.421
flat angles C4'-P-C4' energy: -52.474
flat angles P-C4'-P energy: -29.031
tors. eta vs tors. theta energy: -67.221
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: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -653.195138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.195138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.195138 (E_RNA)
where:
Base-Base interactions energy: -444.442
where: short stacking energy: -208.527
Base-Backbone interact. energy: 5.375
local terms energy: -214.128289
where:
bonds (distance) C4'-P energy: -44.381
bonds (distance) P-C4' energy: -47.118
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -24.943
tors. eta vs tors. theta energy: -50.799
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: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -701.691554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.691554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.691554 (E_RNA)
where:
Base-Base interactions energy: -486.663
where: short stacking energy: -203.341
Base-Backbone interact. energy: -0.681
local terms energy: -214.348168
where:
bonds (distance) C4'-P energy: -42.627
bonds (distance) P-C4' energy: -42.519
flat angles C4'-P-C4' energy: -39.887
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: -58.028
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: 1
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -613.111907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.111907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.111907 (E_RNA)
where:
Base-Base interactions energy: -401.355
where: short stacking energy: -194.283
Base-Backbone interact. energy: -0.744
local terms energy: -211.013457
where:
bonds (distance) C4'-P energy: -42.171
bonds (distance) P-C4' energy: -43.472
flat angles C4'-P-C4' energy: -39.886
flat angles P-C4'-P energy: -27.230
tors. eta vs tors. theta energy: -58.254
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: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -555.945886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.945886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.945886 (E_RNA)
where:
Base-Base interactions energy: -373.909
where: short stacking energy: -175.388
Base-Backbone interact. energy: -0.476
local terms energy: -181.560535
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -36.591
flat angles C4'-P-C4' energy: -37.657
flat angles P-C4'-P energy: -22.954
tors. eta vs tors. theta energy: -46.939
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: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -571.602699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.602699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.602699 (E_RNA)
where:
Base-Base interactions energy: -385.877
where: short stacking energy: -164.819
Base-Backbone interact. energy: -2.336
local terms energy: -183.389096
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -34.014
flat angles C4'-P-C4' energy: -35.118
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -51.258
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: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -378.979265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.979265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.979265 (E_RNA)
where:
Base-Base interactions energy: -215.805
where: short stacking energy: -90.852
Base-Backbone interact. energy: 0.277
local terms energy: -163.451868
where:
bonds (distance) C4'-P energy: -39.159
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -45.515
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -24.049
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: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -315.991458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.991458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.991458 (E_RNA)
where:
Base-Base interactions energy: -184.675
where: short stacking energy: -90.985
Base-Backbone interact. energy: -1.653
local terms energy: -129.663915
where:
bonds (distance) C4'-P energy: -35.287
bonds (distance) P-C4' energy: -29.361
flat angles C4'-P-C4' energy: -25.827
flat angles P-C4'-P energy: -28.997
tors. eta vs tors. theta energy: -10.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -210.535138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.535138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.535138 (E_RNA)
where:
Base-Base interactions energy: -82.856
where: short stacking energy: -49.890
Base-Backbone interact. energy: -1.889
local terms energy: -125.790243
where:
bonds (distance) C4'-P energy: -32.738
bonds (distance) P-C4' energy: -41.367
flat angles C4'-P-C4' energy: -36.571
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: 5.766
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: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -752.454357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.454357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.454357 (E_RNA)
where:
Base-Base interactions energy: -516.484
where: short stacking energy: -204.493
Base-Backbone interact. energy: 1.325
local terms energy: -237.294622
where:
bonds (distance) C4'-P energy: -48.115
bonds (distance) P-C4' energy: -52.157
flat angles C4'-P-C4' energy: -38.880
flat angles P-C4'-P energy: -38.196
tors. eta vs tors. theta energy: -59.946
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: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -725.390016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.390016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.390016 (E_RNA)
where:
Base-Base interactions energy: -499.547
where: short stacking energy: -222.819
Base-Backbone interact. energy: 0.609
local terms energy: -226.451864
where:
bonds (distance) C4'-P energy: -36.396
bonds (distance) P-C4' energy: -39.008
flat angles C4'-P-C4' energy: -52.588
flat angles P-C4'-P energy: -34.631
tors. eta vs tors. theta energy: -63.828
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: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -691.036698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.036698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.036698 (E_RNA)
where:
Base-Base interactions energy: -464.851
where: short stacking energy: -216.721
Base-Backbone interact. energy: -0.367
local terms energy: -225.819028
where:
bonds (distance) C4'-P energy: -38.551
bonds (distance) P-C4' energy: -46.342
flat angles C4'-P-C4' energy: -48.590
flat angles P-C4'-P energy: -32.786
tors. eta vs tors. theta energy: -59.549
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: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -705.632043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.632043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.632043 (E_RNA)
where:
Base-Base interactions energy: -501.958
where: short stacking energy: -207.427
Base-Backbone interact. energy: 0.312
local terms energy: -203.986163
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -38.337
flat angles C4'-P-C4' energy: -40.239
flat angles P-C4'-P energy: -28.045
tors. eta vs tors. theta energy: -53.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -620.044946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.044946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.044946 (E_RNA)
where:
Base-Base interactions energy: -423.168
where: short stacking energy: -206.200
Base-Backbone interact. energy: -1.158
local terms energy: -195.718353
where:
bonds (distance) C4'-P energy: -37.727
bonds (distance) P-C4' energy: -43.866
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -54.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -567.305026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.305026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.305026 (E_RNA)
where:
Base-Base interactions energy: -378.330
where: short stacking energy: -164.020
Base-Backbone interact. energy: -0.599
local terms energy: -188.376535
where:
bonds (distance) C4'-P energy: -39.448
bonds (distance) P-C4' energy: -36.854
flat angles C4'-P-C4' energy: -44.713
flat angles P-C4'-P energy: -29.294
tors. eta vs tors. theta energy: -38.068
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: 115
Temperature: 1.200000
Total energy: -534.179960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.179960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.179960 (E_RNA)
where:
Base-Base interactions energy: -353.439
where: short stacking energy: -160.495
Base-Backbone interact. energy: 0.600
local terms energy: -181.341679
where:
bonds (distance) C4'-P energy: -40.637
bonds (distance) P-C4' energy: -39.010
flat angles C4'-P-C4' energy: -36.592
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -38.722
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: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -358.949157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.949157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.949157 (E_RNA)
where:
Base-Base interactions energy: -212.735
where: short stacking energy: -103.962
Base-Backbone interact. energy: -0.954
local terms energy: -145.259747
where:
bonds (distance) C4'-P energy: -37.971
bonds (distance) P-C4' energy: -41.741
flat angles C4'-P-C4' energy: -31.029
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -4.949
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: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -316.867642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.867642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.867642 (E_RNA)
where:
Base-Base interactions energy: -174.021
where: short stacking energy: -103.635
Base-Backbone interact. energy: 1.086
local terms energy: -143.932805
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -37.971
flat angles P-C4'-P energy: -22.196
tors. eta vs tors. theta energy: -17.447
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: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -196.419789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.419789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.419789 (E_RNA)
where:
Base-Base interactions energy: -58.943
where: short stacking energy: -58.794
Base-Backbone interact. energy: -0.770
local terms energy: -136.706163
where:
bonds (distance) C4'-P energy: -37.133
bonds (distance) P-C4' energy: -36.938
flat angles C4'-P-C4' energy: -39.187
flat angles P-C4'-P energy: -23.926
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -752.311488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.311488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.311488 (E_RNA)
where:
Base-Base interactions energy: -528.347
where: short stacking energy: -202.002
Base-Backbone interact. energy: -2.760
local terms energy: -221.204652
where:
bonds (distance) C4'-P energy: -44.190
bonds (distance) P-C4' energy: -43.355
flat angles C4'-P-C4' energy: -48.206
flat angles P-C4'-P energy: -26.564
tors. eta vs tors. theta energy: -58.889
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: 2
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -719.332248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.332248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.332248 (E_RNA)
where:
Base-Base interactions energy: -494.976
where: short stacking energy: -219.037
Base-Backbone interact. energy: -1.304
local terms energy: -223.052290
where:
bonds (distance) C4'-P energy: -41.054
bonds (distance) P-C4' energy: -36.477
flat angles C4'-P-C4' energy: -49.156
flat angles P-C4'-P energy: -34.076
tors. eta vs tors. theta energy: -62.289
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: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -678.094684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.094684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.094684 (E_RNA)
where:
Base-Base interactions energy: -463.786
where: short stacking energy: -201.996
Base-Backbone interact. energy: 2.550
local terms energy: -216.859439
where:
bonds (distance) C4'-P energy: -39.796
bonds (distance) P-C4' energy: -46.348
flat angles C4'-P-C4' energy: -46.447
flat angles P-C4'-P energy: -29.987
tors. eta vs tors. theta energy: -54.280
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: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -689.322952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.322952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.322952 (E_RNA)
where:
Base-Base interactions energy: -471.012
where: short stacking energy: -191.946
Base-Backbone interact. energy: -0.995
local terms energy: -217.316693
where:
bonds (distance) C4'-P energy: -37.017
bonds (distance) P-C4' energy: -48.631
flat angles C4'-P-C4' energy: -42.378
flat angles P-C4'-P energy: -32.565
tors. eta vs tors. theta energy: -56.725
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: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -613.440050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.440050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.440050 (E_RNA)
where:
Base-Base interactions energy: -417.335
where: short stacking energy: -186.075
Base-Backbone interact. energy: -1.086
local terms energy: -195.018874
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -35.706
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -28.109
tors. eta vs tors. theta energy: -49.913
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: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -548.131671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.131671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.131671 (E_RNA)
where:
Base-Base interactions energy: -356.511
where: short stacking energy: -170.740
Base-Backbone interact. energy: -2.495
local terms energy: -189.126017
where:
bonds (distance) C4'-P energy: -37.991
bonds (distance) P-C4' energy: -42.779
flat angles C4'-P-C4' energy: -44.018
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -40.578
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: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -551.101829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.101829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.101829 (E_RNA)
where:
Base-Base interactions energy: -349.096
where: short stacking energy: -161.096
Base-Backbone interact. energy: -0.643
local terms energy: -201.362299
where:
bonds (distance) C4'-P energy: -41.213
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -44.619
flat angles P-C4'-P energy: -24.680
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: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -417.423121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.423121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.423121 (E_RNA)
where:
Base-Base interactions energy: -270.695
where: short stacking energy: -114.877
Base-Backbone interact. energy: -2.123
local terms energy: -144.605354
where:
bonds (distance) C4'-P energy: -33.544
bonds (distance) P-C4' energy: -31.857
flat angles C4'-P-C4' energy: -39.645
flat angles P-C4'-P energy: -25.242
tors. eta vs tors. theta energy: -14.318
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: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -263.771152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.771152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.771152 (E_RNA)
where:
Base-Base interactions energy: -114.400
where: short stacking energy: -64.006
Base-Backbone interact. energy: 1.096
local terms energy: -150.467137
where:
bonds (distance) C4'-P energy: -39.429
bonds (distance) P-C4' energy: -43.104
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -26.678
tors. eta vs tors. theta energy: -10.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -212.660787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.660787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.660787 (E_RNA)
where:
Base-Base interactions energy: -79.452
where: short stacking energy: -76.851
Base-Backbone interact. energy: -1.051
local terms energy: -132.158151
where:
bonds (distance) C4'-P energy: -42.131
bonds (distance) P-C4' energy: -38.172
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -19.138
tors. eta vs tors. theta energy: -2.594
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: 1, replica: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -751.868757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.868757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.868757 (E_RNA)
where:
Base-Base interactions energy: -523.562
where: short stacking energy: -208.540
Base-Backbone interact. energy: -2.153
local terms energy: -226.153302
where:
bonds (distance) C4'-P energy: -33.558
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -46.902
flat angles P-C4'-P energy: -31.565
tors. eta vs tors. theta energy: -63.273
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: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -715.426312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.426312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.426312 (E_RNA)
where:
Base-Base interactions energy: -487.625
where: short stacking energy: -201.751
Base-Backbone interact. energy: -1.506
local terms energy: -226.295751
where:
bonds (distance) C4'-P energy: -32.824
bonds (distance) P-C4' energy: -44.719
flat angles C4'-P-C4' energy: -50.107
flat angles P-C4'-P energy: -34.369
tors. eta vs tors. theta energy: -64.277
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: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -699.237246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.237246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.237246 (E_RNA)
where:
Base-Base interactions energy: -485.670
where: short stacking energy: -204.183
Base-Backbone interact. energy: -0.072
local terms energy: -213.495877
where:
bonds (distance) C4'-P energy: -36.767
bonds (distance) P-C4' energy: -34.194
flat angles C4'-P-C4' energy: -46.716
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -61.016
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: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -712.957636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.957636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.957636 (E_RNA)
where:
Base-Base interactions energy: -485.366
where: short stacking energy: -204.652
Base-Backbone interact. energy: -1.501
local terms energy: -226.090500
where:
bonds (distance) C4'-P energy: -42.279
bonds (distance) P-C4' energy: -47.518
flat angles C4'-P-C4' energy: -43.146
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -56.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -624.781382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.781382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.781382 (E_RNA)
where:
Base-Base interactions energy: -410.898
where: short stacking energy: -189.444
Base-Backbone interact. energy: -0.336
local terms energy: -213.547120
where:
bonds (distance) C4'-P energy: -44.218
bonds (distance) P-C4' energy: -36.516
flat angles C4'-P-C4' energy: -49.419
flat angles P-C4'-P energy: -32.815
tors. eta vs tors. theta energy: -50.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -551.467445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.467445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.467445 (E_RNA)
where:
Base-Base interactions energy: -363.898
where: short stacking energy: -162.353
Base-Backbone interact. energy: -1.779
local terms energy: -185.790105
where:
bonds (distance) C4'-P energy: -27.922
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -46.904
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -42.247
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: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -497.465899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.465899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.465899 (E_RNA)
where:
Base-Base interactions energy: -343.432
where: short stacking energy: -147.160
Base-Backbone interact. energy: -2.390
local terms energy: -151.643885
where:
bonds (distance) C4'-P energy: -34.270
bonds (distance) P-C4' energy: -33.510
flat angles C4'-P-C4' energy: -23.454
flat angles P-C4'-P energy: -27.976
tors. eta vs tors. theta energy: -32.435
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: 8, replica: 10
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -404.952356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.952356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.952356 (E_RNA)
where:
Base-Base interactions energy: -243.600
where: short stacking energy: -103.040
Base-Backbone interact. energy: -0.938
local terms energy: -160.414106
where:
bonds (distance) C4'-P energy: -47.478
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -37.433
flat angles P-C4'-P energy: -27.862
tors. eta vs tors. theta energy: -13.612
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: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -395.427170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.427170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.427170 (E_RNA)
where:
Base-Base interactions energy: -241.585
where: short stacking energy: -118.287
Base-Backbone interact. energy: 0.357
local terms energy: -154.199051
where:
bonds (distance) C4'-P energy: -44.636
bonds (distance) P-C4' energy: -44.159
flat angles C4'-P-C4' energy: -23.559
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -18.642
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: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -189.307224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.307224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.307224 (E_RNA)
where:
Base-Base interactions energy: -76.268
where: short stacking energy: -70.697
Base-Backbone interact. energy: -0.516
local terms energy: -112.522646
where:
bonds (distance) C4'-P energy: -41.393
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -2.355
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: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -756.700167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.700167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.700167 (E_RNA)
where:
Base-Base interactions energy: -529.957
where: short stacking energy: -213.343
Base-Backbone interact. energy: -0.878
local terms energy: -225.865117
where:
bonds (distance) C4'-P energy: -35.169
bonds (distance) P-C4' energy: -46.236
flat angles C4'-P-C4' energy: -46.668
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: -64.912
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: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -709.957960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.957960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.957960 (E_RNA)
where:
Base-Base interactions energy: -482.869
where: short stacking energy: -202.383
Base-Backbone interact. energy: -1.073
local terms energy: -226.015648
where:
bonds (distance) C4'-P energy: -44.157
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -46.964
flat angles P-C4'-P energy: -36.256
tors. eta vs tors. theta energy: -58.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -703.195627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.195627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.195627 (E_RNA)
where:
Base-Base interactions energy: -490.813
where: short stacking energy: -207.724
Base-Backbone interact. energy: -1.304
local terms energy: -211.079450
where:
bonds (distance) C4'-P energy: -37.679
bonds (distance) P-C4' energy: -40.303
flat angles C4'-P-C4' energy: -48.783
flat angles P-C4'-P energy: -27.941
tors. eta vs tors. theta energy: -56.374
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: 118
Temperature: 1.050000
Total energy: -694.817492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.817492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.817492 (E_RNA)
where:
Base-Base interactions energy: -476.090
where: short stacking energy: -222.090
Base-Backbone interact. energy: 1.726
local terms energy: -220.453808
where:
bonds (distance) C4'-P energy: -36.612
bonds (distance) P-C4' energy: -45.480
flat angles C4'-P-C4' energy: -52.238
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -60.621
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: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -577.966257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.966257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.966257 (E_RNA)
where:
Base-Base interactions energy: -373.349
where: short stacking energy: -166.468
Base-Backbone interact. energy: -0.185
local terms energy: -204.432483
where:
bonds (distance) C4'-P energy: -41.720
bonds (distance) P-C4' energy: -43.760
flat angles C4'-P-C4' energy: -47.899
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -50.525
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: 1
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -609.832417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.832417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.832417 (E_RNA)
where:
Base-Base interactions energy: -412.557
where: short stacking energy: -200.388
Base-Backbone interact. energy: -0.414
local terms energy: -196.861181
where:
bonds (distance) C4'-P energy: -35.955
bonds (distance) P-C4' energy: -33.001
flat angles C4'-P-C4' energy: -41.735
flat angles P-C4'-P energy: -22.452
tors. eta vs tors. theta energy: -63.717
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: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -576.083844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.083844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.083844 (E_RNA)
where:
Base-Base interactions energy: -386.223
where: short stacking energy: -184.023
Base-Backbone interact. energy: -1.171
local terms energy: -188.689373
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -43.505
flat angles C4'-P-C4' energy: -40.652
flat angles P-C4'-P energy: -26.152
tors. eta vs tors. theta energy: -53.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -473.711622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.711622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.711622 (E_RNA)
where:
Base-Base interactions energy: -299.207
where: short stacking energy: -134.839
Base-Backbone interact. energy: -0.155
local terms energy: -174.349880
where:
bonds (distance) C4'-P energy: -43.717
bonds (distance) P-C4' energy: -28.847
flat angles C4'-P-C4' energy: -36.715
flat angles P-C4'-P energy: -23.690
tors. eta vs tors. theta energy: -41.381
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: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -409.716229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.716229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.716229 (E_RNA)
where:
Base-Base interactions energy: -257.919
where: short stacking energy: -128.252
Base-Backbone interact. energy: -0.602
local terms energy: -151.194338
where:
bonds (distance) C4'-P energy: -35.261
bonds (distance) P-C4' energy: -35.661
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -24.941
tors. eta vs tors. theta energy: -30.229
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: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -201.657582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.657582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.657582 (E_RNA)
where:
Base-Base interactions energy: -73.332
where: short stacking energy: -57.407
Base-Backbone interact. energy: -0.596
local terms energy: -127.729130
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -29.633
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -8.446
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: 1, replica: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -748.038982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.038982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.038982 (E_RNA)
where:
Base-Base interactions energy: -510.140
where: short stacking energy: -212.814
Base-Backbone interact. energy: -1.190
local terms energy: -236.709143
where:
bonds (distance) C4'-P energy: -45.039
bonds (distance) P-C4' energy: -48.015
flat angles C4'-P-C4' energy: -46.801
flat angles P-C4'-P energy: -32.918
tors. eta vs tors. theta energy: -63.937
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: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -710.500558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.500558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.500558 (E_RNA)
where:
Base-Base interactions energy: -482.615
where: short stacking energy: -209.260
Base-Backbone interact. energy: -0.575
local terms energy: -227.310922
where:
bonds (distance) C4'-P energy: -47.440
bonds (distance) P-C4' energy: -44.868
flat angles C4'-P-C4' energy: -47.513
flat angles P-C4'-P energy: -32.753
tors. eta vs tors. theta energy: -54.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -690.004392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.004392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.004392 (E_RNA)
where:
Base-Base interactions energy: -463.749
where: short stacking energy: -204.111
Base-Backbone interact. energy: -0.576
local terms energy: -225.679095
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -47.399
flat angles C4'-P-C4' energy: -51.624
flat angles P-C4'-P energy: -27.083
tors. eta vs tors. theta energy: -56.212
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: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -711.713529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.713529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.713529 (E_RNA)
where:
Base-Base interactions energy: -494.337
where: short stacking energy: -217.591
Base-Backbone interact. energy: 5.117
local terms energy: -222.492930
where:
bonds (distance) C4'-P energy: -35.777
bonds (distance) P-C4' energy: -46.848
flat angles C4'-P-C4' energy: -42.720
flat angles P-C4'-P energy: -33.672
tors. eta vs tors. theta energy: -63.475
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: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -602.248889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.248889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.248889 (E_RNA)
where:
Base-Base interactions energy: -413.083
where: short stacking energy: -170.070
Base-Backbone interact. energy: -0.894
local terms energy: -188.271671
where:
bonds (distance) C4'-P energy: -40.466
bonds (distance) P-C4' energy: -38.683
flat angles C4'-P-C4' energy: -39.869
flat angles P-C4'-P energy: -26.606
tors. eta vs tors. theta energy: -42.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -602.063105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.063105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.063105 (E_RNA)
where:
Base-Base interactions energy: -402.621
where: short stacking energy: -174.066
Base-Backbone interact. energy: -0.992
local terms energy: -198.449976
where:
bonds (distance) C4'-P energy: -35.550
bonds (distance) P-C4' energy: -39.846
flat angles C4'-P-C4' energy: -40.683
flat angles P-C4'-P energy: -30.550
tors. eta vs tors. theta energy: -51.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -530.083248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.083248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.083248 (E_RNA)
where:
Base-Base interactions energy: -344.984
where: short stacking energy: -171.408
Base-Backbone interact. energy: -0.899
local terms energy: -184.200434
where:
bonds (distance) C4'-P energy: -30.941
bonds (distance) P-C4' energy: -43.245
flat angles C4'-P-C4' energy: -40.740
flat angles P-C4'-P energy: -29.071
tors. eta vs tors. theta energy: -40.204
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: 8, replica: 8
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -415.301778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.301778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.301778 (E_RNA)
where:
Base-Base interactions energy: -266.169
where: short stacking energy: -145.710
Base-Backbone interact. energy: -1.297
local terms energy: -147.835873
where:
bonds (distance) C4'-P energy: -32.176
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -36.919
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -31.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -427.001049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.001049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.001049 (E_RNA)
where:
Base-Base interactions energy: -266.546
where: short stacking energy: -110.681
Base-Backbone interact. energy: -1.912
local terms energy: -158.542720
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -36.336
flat angles P-C4'-P energy: -28.800
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -205.262274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.262274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.262274 (E_RNA)
where:
Base-Base interactions energy: -80.999
where: short stacking energy: -71.864
Base-Backbone interact. energy: -0.230
local terms energy: -124.033793
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -28.567
flat angles C4'-P-C4' energy: -39.695
flat angles P-C4'-P energy: -29.888
tors. eta vs tors. theta energy: 7.822
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: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -760.798132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.798132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.798132 (E_RNA)
where:
Base-Base interactions energy: -533.657
where: short stacking energy: -213.831
Base-Backbone interact. energy: -0.977
local terms energy: -226.163313
where:
bonds (distance) C4'-P energy: -39.607
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -67.623
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: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -716.557289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.557289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.557289 (E_RNA)
where:
Base-Base interactions energy: -475.788
where: short stacking energy: -209.945
Base-Backbone interact. energy: -0.331
local terms energy: -240.438475
where:
bonds (distance) C4'-P energy: -47.588
bonds (distance) P-C4' energy: -42.897
flat angles C4'-P-C4' energy: -49.671
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -65.514
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: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -699.000063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.000063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.000063 (E_RNA)
where:
Base-Base interactions energy: -473.018
where: short stacking energy: -206.345
Base-Backbone interact. energy: -1.038
local terms energy: -224.944097
where:
bonds (distance) C4'-P energy: -33.873
bonds (distance) P-C4' energy: -47.835
flat angles C4'-P-C4' energy: -52.245
flat angles P-C4'-P energy: -30.601
tors. eta vs tors. theta energy: -60.390
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: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -671.810831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.810831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.810831 (E_RNA)
where:
Base-Base interactions energy: -458.358
where: short stacking energy: -192.182
Base-Backbone interact. energy: -2.899
local terms energy: -210.554114
where:
bonds (distance) C4'-P energy: -40.480
bonds (distance) P-C4' energy: -44.192
flat angles C4'-P-C4' energy: -44.492
flat angles P-C4'-P energy: -29.736
tors. eta vs tors. theta energy: -51.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -616.901546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.901546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.901546 (E_RNA)
where:
Base-Base interactions energy: -419.855
where: short stacking energy: -194.415
Base-Backbone interact. energy: -0.515
local terms energy: -196.531891
where:
bonds (distance) C4'-P energy: -36.501
bonds (distance) P-C4' energy: -41.073
flat angles C4'-P-C4' energy: -39.848
flat angles P-C4'-P energy: -28.729
tors. eta vs tors. theta energy: -50.382
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: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -620.936805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.936805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.936805 (E_RNA)
where:
Base-Base interactions energy: -418.629
where: short stacking energy: -185.074
Base-Backbone interact. energy: 0.498
local terms energy: -202.806104
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -42.820
flat angles C4'-P-C4' energy: -48.876
flat angles P-C4'-P energy: -30.427
tors. eta vs tors. theta energy: -58.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -570.780342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.780342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.780342 (E_RNA)
where:
Base-Base interactions energy: -401.244
where: short stacking energy: -168.752
Base-Backbone interact. energy: -0.790
local terms energy: -168.745914
where:
bonds (distance) C4'-P energy: -37.065
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -34.813
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -39.996
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: 8
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -430.540949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.540949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.540949 (E_RNA)
where:
Base-Base interactions energy: -263.907
where: short stacking energy: -128.118
Base-Backbone interact. energy: -0.333
local terms energy: -166.301181
where:
bonds (distance) C4'-P energy: -30.853
bonds (distance) P-C4' energy: -43.441
flat angles C4'-P-C4' energy: -30.644
flat angles P-C4'-P energy: -30.186
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -394.516825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.516825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.516825 (E_RNA)
where:
Base-Base interactions energy: -245.688
where: short stacking energy: -106.639
Base-Backbone interact. energy: -0.801
local terms energy: -148.027644
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -43.118
flat angles C4'-P-C4' energy: -33.615
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -206.342818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.342818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.342818 (E_RNA)
where:
Base-Base interactions energy: -79.427
where: short stacking energy: -58.383
Base-Backbone interact. energy: -0.281
local terms energy: -126.634370
where:
bonds (distance) C4'-P energy: -33.587
bonds (distance) P-C4' energy: -44.492
flat angles C4'-P-C4' energy: -37.072
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: 4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -753.345088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.345088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.345088 (E_RNA)
where:
Base-Base interactions energy: -517.500
where: short stacking energy: -213.339
Base-Backbone interact. energy: -1.188
local terms energy: -234.656715
where:
bonds (distance) C4'-P energy: -43.479
bonds (distance) P-C4' energy: -43.779
flat angles C4'-P-C4' energy: -47.747
flat angles P-C4'-P energy: -30.903
tors. eta vs tors. theta energy: -68.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -721.433807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.433807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.433807 (E_RNA)
where:
Base-Base interactions energy: -481.543
where: short stacking energy: -221.180
Base-Backbone interact. energy: -0.230
local terms energy: -239.660913
where:
bonds (distance) C4'-P energy: -46.602
bonds (distance) P-C4' energy: -43.229
flat angles C4'-P-C4' energy: -48.623
flat angles P-C4'-P energy: -37.510
tors. eta vs tors. theta energy: -63.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -696.151622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.151622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.151622 (E_RNA)
where:
Base-Base interactions energy: -483.067
where: short stacking energy: -196.640
Base-Backbone interact. energy: 0.111
local terms energy: -213.195694
where:
bonds (distance) C4'-P energy: -42.970
bonds (distance) P-C4' energy: -44.660
flat angles C4'-P-C4' energy: -45.624
flat angles P-C4'-P energy: -27.168
tors. eta vs tors. theta energy: -52.773
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: 4, replica: 4
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -679.791976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.791976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.791976 (E_RNA)
where:
Base-Base interactions energy: -466.640
where: short stacking energy: -193.057
Base-Backbone interact. energy: -1.820
local terms energy: -211.331760
where:
bonds (distance) C4'-P energy: -38.069
bonds (distance) P-C4' energy: -40.474
flat angles C4'-P-C4' energy: -48.719
flat angles P-C4'-P energy: -34.949
tors. eta vs tors. theta energy: -49.121
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: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -623.368461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.368461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.368461 (E_RNA)
where:
Base-Base interactions energy: -429.174
where: short stacking energy: -179.370
Base-Backbone interact. energy: -2.755
local terms energy: -191.439193
where:
bonds (distance) C4'-P energy: -33.170
bonds (distance) P-C4' energy: -40.514
flat angles C4'-P-C4' energy: -40.964
flat angles P-C4'-P energy: -28.404
tors. eta vs tors. theta energy: -48.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -577.599467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.599467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.599467 (E_RNA)
where:
Base-Base interactions energy: -394.283
where: short stacking energy: -173.019
Base-Backbone interact. energy: 0.190
local terms energy: -183.506528
where:
bonds (distance) C4'-P energy: -40.414
bonds (distance) P-C4' energy: -36.848
flat angles C4'-P-C4' energy: -43.039
flat angles P-C4'-P energy: -19.498
tors. eta vs tors. theta energy: -43.707
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: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -607.238564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.238564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.238564 (E_RNA)
where:
Base-Base interactions energy: -415.154
where: short stacking energy: -193.223
Base-Backbone interact. energy: 0.246
local terms energy: -192.329901
where:
bonds (distance) C4'-P energy: -34.260
bonds (distance) P-C4' energy: -35.159
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -21.668
tors. eta vs tors. theta energy: -60.659
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: 10
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -443.339090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.339090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.339090 (E_RNA)
where:
Base-Base interactions energy: -281.635
where: short stacking energy: -116.326
Base-Backbone interact. energy: -1.301
local terms energy: -160.403406
where:
bonds (distance) C4'-P energy: -35.773
bonds (distance) P-C4' energy: -42.283
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -31.949
tors. eta vs tors. theta energy: -16.689
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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -379.580145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.580145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.580145 (E_RNA)
where:
Base-Base interactions energy: -225.432
where: short stacking energy: -109.693
Base-Backbone interact. energy: -0.840
local terms energy: -153.307790
where:
bonds (distance) C4'-P energy: -35.138
bonds (distance) P-C4' energy: -29.798
flat angles C4'-P-C4' energy: -37.499
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -21.354
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: 10, replica: 9
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -207.636723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.636723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.636723 (E_RNA)
where:
Base-Base interactions energy: -69.415
where: short stacking energy: -51.246
Base-Backbone interact. energy: -0.312
local terms energy: -137.909946
where:
bonds (distance) C4'-P energy: -36.146
bonds (distance) P-C4' energy: -46.941
flat angles C4'-P-C4' energy: -38.339
flat angles P-C4'-P energy: -20.477
tors. eta vs tors. theta energy: 3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -751.597069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.597069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.597069 (E_RNA)
where:
Base-Base interactions energy: -525.775
where: short stacking energy: -215.728
Base-Backbone interact. energy: -1.048
local terms energy: -224.774512
where:
bonds (distance) C4'-P energy: -35.854
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -45.414
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -63.676
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: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -714.129038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.129038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.129038 (E_RNA)
where:
Base-Base interactions energy: -477.402
where: short stacking energy: -221.808
Base-Backbone interact. energy: -0.532
local terms energy: -236.195348
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -47.051
flat angles P-C4'-P energy: -35.065
tors. eta vs tors. theta energy: -67.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -698.754893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.754893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.754893 (E_RNA)
where:
Base-Base interactions energy: -484.284
where: short stacking energy: -196.718
Base-Backbone interact. energy: 1.754
local terms energy: -216.225533
where:
bonds (distance) C4'-P energy: -36.398
bonds (distance) P-C4' energy: -34.365
flat angles C4'-P-C4' energy: -55.234
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -60.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -707.915275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.915275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.915275 (E_RNA)
where:
Base-Base interactions energy: -483.728
where: short stacking energy: -215.896
Base-Backbone interact. energy: -0.602
local terms energy: -223.584768
where:
bonds (distance) C4'-P energy: -48.500
bonds (distance) P-C4' energy: -43.777
flat angles C4'-P-C4' energy: -45.116
flat angles P-C4'-P energy: -29.191
tors. eta vs tors. theta energy: -57.001
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: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -638.308572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.308572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.308572 (E_RNA)
where:
Base-Base interactions energy: -438.206
where: short stacking energy: -202.522
Base-Backbone interact. energy: -0.347
local terms energy: -199.755237
where:
bonds (distance) C4'-P energy: -37.409
bonds (distance) P-C4' energy: -41.254
flat angles C4'-P-C4' energy: -44.060
flat angles P-C4'-P energy: -30.249
tors. eta vs tors. theta energy: -46.784
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: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -539.072707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.072707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.072707 (E_RNA)
where:
Base-Base interactions energy: -338.682
where: short stacking energy: -164.478
Base-Backbone interact. energy: -0.838
local terms energy: -199.552381
where:
bonds (distance) C4'-P energy: -42.090
bonds (distance) P-C4' energy: -39.331
flat angles C4'-P-C4' energy: -43.834
flat angles P-C4'-P energy: -30.399
tors. eta vs tors. theta energy: -43.898
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: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -581.854277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.854277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.854277 (E_RNA)
where:
Base-Base interactions energy: -398.757
where: short stacking energy: -179.282
Base-Backbone interact. energy: -0.355
local terms energy: -182.741754
where:
bonds (distance) C4'-P energy: -35.614
bonds (distance) P-C4' energy: -39.783
flat angles C4'-P-C4' energy: -34.308
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -49.283
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: 10
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -435.799366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.799366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.799366 (E_RNA)
where:
Base-Base interactions energy: -281.142
where: short stacking energy: -124.071
Base-Backbone interact. energy: 2.156
local terms energy: -156.813587
where:
bonds (distance) C4'-P energy: -38.403
bonds (distance) P-C4' energy: -38.776
flat angles C4'-P-C4' energy: -38.155
flat angles P-C4'-P energy: -24.439
tors. eta vs tors. theta energy: -17.040
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: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -397.053364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.053364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.053364 (E_RNA)
where:
Base-Base interactions energy: -224.566
where: short stacking energy: -113.537
Base-Backbone interact. energy: -0.344
local terms energy: -172.142704
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -39.377
flat angles C4'-P-C4' energy: -38.290
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -26.621
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: 10, replica: 9
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -207.439761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.439761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.439761 (E_RNA)
where:
Base-Base interactions energy: -103.466
where: short stacking energy: -63.383
Base-Backbone interact. energy: -0.752
local terms energy: -103.222306
where:
bonds (distance) C4'-P energy: -27.278
bonds (distance) P-C4' energy: -38.318
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: 7.047
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: 1, replica: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -750.793722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.793722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.793722 (E_RNA)
where:
Base-Base interactions energy: -527.940
where: short stacking energy: -213.333
Base-Backbone interact. energy: -1.552
local terms energy: -221.301178
where:
bonds (distance) C4'-P energy: -40.589
bonds (distance) P-C4' energy: -43.450
flat angles C4'-P-C4' energy: -43.396
flat angles P-C4'-P energy: -27.534
tors. eta vs tors. theta energy: -66.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -740.090341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.090341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.090341 (E_RNA)
where:
Base-Base interactions energy: -524.126
where: short stacking energy: -230.337
Base-Backbone interact. energy: 5.411
local terms energy: -221.375576
where:
bonds (distance) C4'-P energy: -36.993
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -45.612
flat angles P-C4'-P energy: -34.189
tors. eta vs tors. theta energy: -63.018
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: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -715.469812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.469812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.469812 (E_RNA)
where:
Base-Base interactions energy: -495.551
where: short stacking energy: -206.594
Base-Backbone interact. energy: -0.549
local terms energy: -219.369793
where:
bonds (distance) C4'-P energy: -40.970
bonds (distance) P-C4' energy: -39.667
flat angles C4'-P-C4' energy: -49.274
flat angles P-C4'-P energy: -27.394
tors. eta vs tors. theta energy: -62.064
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: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -669.155213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.155213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.155213 (E_RNA)
where:
Base-Base interactions energy: -467.198
where: short stacking energy: -197.740
Base-Backbone interact. energy: -0.492
local terms energy: -201.464736
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -39.421
tors. eta vs tors. theta energy: -48.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -649.747533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.747533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.747533 (E_RNA)
where:
Base-Base interactions energy: -453.906
where: short stacking energy: -190.200
Base-Backbone interact. energy: -1.133
local terms energy: -194.708913
where:
bonds (distance) C4'-P energy: -32.942
bonds (distance) P-C4' energy: -42.867
flat angles C4'-P-C4' energy: -40.218
flat angles P-C4'-P energy: -31.770
tors. eta vs tors. theta energy: -46.912
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: 1
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -609.336994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.336994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.336994 (E_RNA)
where:
Base-Base interactions energy: -405.486
where: short stacking energy: -192.358
Base-Backbone interact. energy: 0.350
local terms energy: -204.201560
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -33.453
flat angles C4'-P-C4' energy: -49.490
flat angles P-C4'-P energy: -27.814
tors. eta vs tors. theta energy: -51.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -542.081866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.081866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.081866 (E_RNA)
where:
Base-Base interactions energy: -357.956
where: short stacking energy: -159.201
Base-Backbone interact. energy: -1.798
local terms energy: -182.327586
where:
bonds (distance) C4'-P energy: -38.915
bonds (distance) P-C4' energy: -35.777
flat angles C4'-P-C4' energy: -39.068
flat angles P-C4'-P energy: -31.455
tors. eta vs tors. theta energy: -37.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -354.591997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.591997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.591997 (E_RNA)
where:
Base-Base interactions energy: -228.261
where: short stacking energy: -127.675
Base-Backbone interact. energy: 0.304
local terms energy: -126.634763
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -29.968
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -16.148
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: 123
Temperature: 1.300000
Total energy: -433.916982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.916982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.916982 (E_RNA)
where:
Base-Base interactions energy: -273.064
where: short stacking energy: -109.961
Base-Backbone interact. energy: -0.094
local terms energy: -160.759206
where:
bonds (distance) C4'-P energy: -31.444
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -42.777
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -23.074
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: 9
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -218.531906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.531906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.531906 (E_RNA)
where:
Base-Base interactions energy: -75.430
where: short stacking energy: -68.351
Base-Backbone interact. energy: 0.686
local terms energy: -143.787368
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -37.436
flat angles C4'-P-C4' energy: -35.398
flat angles P-C4'-P energy: -31.736
tors. eta vs tors. theta energy: -5.238
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: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -755.523975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.523975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.523975 (E_RNA)
where:
Base-Base interactions energy: -533.368
where: short stacking energy: -215.029
Base-Backbone interact. energy: -1.406
local terms energy: -220.749615
where:
bonds (distance) C4'-P energy: -47.594
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -46.962
flat angles P-C4'-P energy: -28.691
tors. eta vs tors. theta energy: -58.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -730.763450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.763450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.763450 (E_RNA)
where:
Base-Base interactions energy: -496.896
where: short stacking energy: -222.057
Base-Backbone interact. energy: 6.445
local terms energy: -240.312421
where:
bonds (distance) C4'-P energy: -41.386
bonds (distance) P-C4' energy: -48.003
flat angles C4'-P-C4' energy: -50.959
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -64.610
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: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -711.434237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.434237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.434237 (E_RNA)
where:
Base-Base interactions energy: -481.072
where: short stacking energy: -215.205
Base-Backbone interact. energy: -0.120
local terms energy: -230.242872
where:
bonds (distance) C4'-P energy: -43.040
bonds (distance) P-C4' energy: -42.625
flat angles C4'-P-C4' energy: -51.657
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -58.754
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: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -677.617592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.617592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.617592 (E_RNA)
where:
Base-Base interactions energy: -465.873
where: short stacking energy: -190.608
Base-Backbone interact. energy: -0.935
local terms energy: -210.810172
where:
bonds (distance) C4'-P energy: -42.229
bonds (distance) P-C4' energy: -42.802
flat angles C4'-P-C4' energy: -44.151
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -57.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -686.611511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.611511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.611511 (E_RNA)
where:
Base-Base interactions energy: -468.077
where: short stacking energy: -190.863
Base-Backbone interact. energy: -0.899
local terms energy: -217.635292
where:
bonds (distance) C4'-P energy: -40.503
bonds (distance) P-C4' energy: -42.015
flat angles C4'-P-C4' energy: -45.249
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: -57.386
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: 6, replica: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -608.816708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.816708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.816708 (E_RNA)
where:
Base-Base interactions energy: -400.093
where: short stacking energy: -192.870
Base-Backbone interact. energy: 2.693
local terms energy: -211.416874
where:
bonds (distance) C4'-P energy: -42.341
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -40.180
flat angles P-C4'-P energy: -31.855
tors. eta vs tors. theta energy: -54.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -519.450890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.450890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.450890 (E_RNA)
where:
Base-Base interactions energy: -336.632
where: short stacking energy: -145.773
Base-Backbone interact. energy: -1.467
local terms energy: -181.352425
where:
bonds (distance) C4'-P energy: -35.558
bonds (distance) P-C4' energy: -34.364
flat angles C4'-P-C4' energy: -47.276
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -30.718
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: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -414.899762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.899762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.899762 (E_RNA)
where:
Base-Base interactions energy: -246.272
where: short stacking energy: -130.688
Base-Backbone interact. energy: -1.727
local terms energy: -166.900393
where:
bonds (distance) C4'-P energy: -41.177
bonds (distance) P-C4' energy: -30.807
flat angles C4'-P-C4' energy: -42.161
flat angles P-C4'-P energy: -27.434
tors. eta vs tors. theta energy: -25.321
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: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -403.902317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.902317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.902317 (E_RNA)
where:
Base-Base interactions energy: -253.175
where: short stacking energy: -129.349
Base-Backbone interact. energy: -0.894
local terms energy: -149.833061
where:
bonds (distance) C4'-P energy: -37.213
bonds (distance) P-C4' energy: -33.794
flat angles C4'-P-C4' energy: -35.989
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -225.022859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.022859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.022859 (E_RNA)
where:
Base-Base interactions energy: -105.103
where: short stacking energy: -66.259
Base-Backbone interact. energy: -1.947
local terms energy: -117.972825
where:
bonds (distance) C4'-P energy: -35.493
bonds (distance) P-C4' energy: -44.100
flat angles C4'-P-C4' energy: -26.250
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -0.147
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: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -762.761153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.761153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.761153 (E_RNA)
where:
Base-Base interactions energy: -525.785
where: short stacking energy: -226.728
Base-Backbone interact. energy: -2.301
local terms energy: -234.674780
where:
bonds (distance) C4'-P energy: -42.480
bonds (distance) P-C4' energy: -46.597
flat angles C4'-P-C4' energy: -44.551
flat angles P-C4'-P energy: -31.224
tors. eta vs tors. theta energy: -69.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -726.639281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.639281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.639281 (E_RNA)
where:
Base-Base interactions energy: -486.498
where: short stacking energy: -225.735
Base-Backbone interact. energy: 4.268
local terms energy: -244.409574
where:
bonds (distance) C4'-P energy: -45.210
bonds (distance) P-C4' energy: -43.989
flat angles C4'-P-C4' energy: -54.387
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -63.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -723.294531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.294531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.294531 (E_RNA)
where:
Base-Base interactions energy: -491.390
where: short stacking energy: -220.650
Base-Backbone interact. energy: -0.013
local terms energy: -231.891648
where:
bonds (distance) C4'-P energy: -39.352
bonds (distance) P-C4' energy: -40.861
flat angles C4'-P-C4' energy: -47.288
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: -71.035
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: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -675.356543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.356543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.356543 (E_RNA)
where:
Base-Base interactions energy: -452.429
where: short stacking energy: -204.863
Base-Backbone interact. energy: -1.026
local terms energy: -221.902025
where:
bonds (distance) C4'-P energy: -42.006
bonds (distance) P-C4' energy: -39.575
flat angles C4'-P-C4' energy: -50.945
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: -53.484
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: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -659.780869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.780869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.780869 (E_RNA)
where:
Base-Base interactions energy: -457.449
where: short stacking energy: -190.548
Base-Backbone interact. energy: 0.004
local terms energy: -202.335873
where:
bonds (distance) C4'-P energy: -43.755
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -40.807
flat angles P-C4'-P energy: -30.288
tors. eta vs tors. theta energy: -52.290
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: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -608.971923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.971923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.971923 (E_RNA)
where:
Base-Base interactions energy: -407.437
where: short stacking energy: -185.928
Base-Backbone interact. energy: -1.271
local terms energy: -200.264609
where:
bonds (distance) C4'-P energy: -36.030
bonds (distance) P-C4' energy: -41.689
flat angles C4'-P-C4' energy: -49.552
flat angles P-C4'-P energy: -28.022
tors. eta vs tors. theta energy: -44.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -516.971071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.971071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.971071 (E_RNA)
where:
Base-Base interactions energy: -341.190
where: short stacking energy: -163.794
Base-Backbone interact. energy: 0.258
local terms energy: -176.038638
where:
bonds (distance) C4'-P energy: -37.303
bonds (distance) P-C4' energy: -45.709
flat angles C4'-P-C4' energy: -35.007
flat angles P-C4'-P energy: -27.723
tors. eta vs tors. theta energy: -30.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -417.520494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.520494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.520494 (E_RNA)
where:
Base-Base interactions energy: -256.457
where: short stacking energy: -134.595
Base-Backbone interact. energy: -0.941
local terms energy: -160.122390
where:
bonds (distance) C4'-P energy: -36.072
bonds (distance) P-C4' energy: -44.091
flat angles C4'-P-C4' energy: -29.615
flat angles P-C4'-P energy: -23.284
tors. eta vs tors. theta energy: -27.060
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: 10
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -460.132987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.132987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.132987 (E_RNA)
where:
Base-Base interactions energy: -286.835
where: short stacking energy: -130.327
Base-Backbone interact. energy: -1.125
local terms energy: -172.173360
where:
bonds (distance) C4'-P energy: -36.518
bonds (distance) P-C4' energy: -33.681
flat angles C4'-P-C4' energy: -44.209
flat angles P-C4'-P energy: -27.931
tors. eta vs tors. theta energy: -29.835
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: 9
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -186.774251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.774251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.774251 (E_RNA)
where:
Base-Base interactions energy: -49.910
where: short stacking energy: -46.395
Base-Backbone interact. energy: -0.492
local terms energy: -136.372320
where:
bonds (distance) C4'-P energy: -38.270
bonds (distance) P-C4' energy: -44.613
flat angles C4'-P-C4' energy: -32.655
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -766.061589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.061589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.061589 (E_RNA)
where:
Base-Base interactions energy: -529.052
where: short stacking energy: -229.333
Base-Backbone interact. energy: -1.426
local terms energy: -235.584016
where:
bonds (distance) C4'-P energy: -49.559
bonds (distance) P-C4' energy: -50.282
flat angles C4'-P-C4' energy: -46.133
flat angles P-C4'-P energy: -25.247
tors. eta vs tors. theta energy: -64.363
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: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -705.041212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.041212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.041212 (E_RNA)
where:
Base-Base interactions energy: -488.176
where: short stacking energy: -208.937
Base-Backbone interact. energy: 5.848
local terms energy: -222.713313
where:
bonds (distance) C4'-P energy: -41.107
bonds (distance) P-C4' energy: -39.382
flat angles C4'-P-C4' energy: -45.169
flat angles P-C4'-P energy: -36.013
tors. eta vs tors. theta energy: -61.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -701.159317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.159317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.159317 (E_RNA)
where:
Base-Base interactions energy: -473.424
where: short stacking energy: -222.298
Base-Backbone interact. energy: -0.482
local terms energy: -227.253587
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -38.219
flat angles C4'-P-C4' energy: -43.324
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: -67.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -672.069054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.069054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.069054 (E_RNA)
where:
Base-Base interactions energy: -468.183
where: short stacking energy: -210.879
Base-Backbone interact. energy: -0.764
local terms energy: -203.121429
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -32.099
flat angles C4'-P-C4' energy: -44.371
flat angles P-C4'-P energy: -25.827
tors. eta vs tors. theta energy: -55.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -648.238282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.238282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.238282 (E_RNA)
where:
Base-Base interactions energy: -450.531
where: short stacking energy: -181.794
Base-Backbone interact. energy: -0.757
local terms energy: -196.949604
where:
bonds (distance) C4'-P energy: -36.748
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -36.910
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -46.711
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: 1
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -602.424176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.424176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.424176 (E_RNA)
where:
Base-Base interactions energy: -413.248
where: short stacking energy: -181.099
Base-Backbone interact. energy: -1.182
local terms energy: -187.994330
where:
bonds (distance) C4'-P energy: -42.545
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -23.937
tors. eta vs tors. theta energy: -49.309
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: 126
Temperature: 1.200000
Total energy: -530.403374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.403374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.403374 (E_RNA)
where:
Base-Base interactions energy: -352.335
where: short stacking energy: -166.662
Base-Backbone interact. energy: -1.950
local terms energy: -176.118917
where:
bonds (distance) C4'-P energy: -46.198
bonds (distance) P-C4' energy: -34.511
flat angles C4'-P-C4' energy: -43.258
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -42.335
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: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -425.322569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.322569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.322569 (E_RNA)
where:
Base-Base interactions energy: -263.299
where: short stacking energy: -137.965
Base-Backbone interact. energy: 0.128
local terms energy: -162.151468
where:
bonds (distance) C4'-P energy: -39.108
bonds (distance) P-C4' energy: -36.899
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -25.350
tors. eta vs tors. theta energy: -26.637
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: 10
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -433.856791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.856791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.856791 (E_RNA)
where:
Base-Base interactions energy: -274.922
where: short stacking energy: -140.505
Base-Backbone interact. energy: -0.741
local terms energy: -158.194555
where:
bonds (distance) C4'-P energy: -31.504
bonds (distance) P-C4' energy: -31.121
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: -41.828
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: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -187.194934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.194934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.194934 (E_RNA)
where:
Base-Base interactions energy: -56.891
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.656
local terms energy: -129.647657
where:
bonds (distance) C4'-P energy: -43.926
bonds (distance) P-C4' energy: -39.286
flat angles C4'-P-C4' energy: -36.317
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: 0.686
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: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -747.853158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.853158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.853158 (E_RNA)
where:
Base-Base interactions energy: -522.824
where: short stacking energy: -202.387
Base-Backbone interact. energy: -1.415
local terms energy: -223.614169
where:
bonds (distance) C4'-P energy: -44.842
bonds (distance) P-C4' energy: -44.889
flat angles C4'-P-C4' energy: -40.353
flat angles P-C4'-P energy: -25.932
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: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -722.134629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.134629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.134629 (E_RNA)
where:
Base-Base interactions energy: -500.804
where: short stacking energy: -216.281
Base-Backbone interact. energy: 8.468
local terms energy: -229.798640
where:
bonds (distance) C4'-P energy: -43.165
bonds (distance) P-C4' energy: -41.446
flat angles C4'-P-C4' energy: -42.540
flat angles P-C4'-P energy: -38.559
tors. eta vs tors. theta energy: -64.089
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: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -706.326134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.326134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.326134 (E_RNA)
where:
Base-Base interactions energy: -485.094
where: short stacking energy: -206.402
Base-Backbone interact. energy: -0.348
local terms energy: -220.884019
where:
bonds (distance) C4'-P energy: -36.824
bonds (distance) P-C4' energy: -43.245
flat angles C4'-P-C4' energy: -45.884
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: -69.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -673.148701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.148701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.148701 (E_RNA)
where:
Base-Base interactions energy: -466.269
where: short stacking energy: -207.542
Base-Backbone interact. energy: -1.078
local terms energy: -205.802305
where:
bonds (distance) C4'-P energy: -36.327
bonds (distance) P-C4' energy: -36.757
flat angles C4'-P-C4' energy: -39.907
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -59.449
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: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -660.846187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.846187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.846187 (E_RNA)
where:
Base-Base interactions energy: -448.257
where: short stacking energy: -177.796
Base-Backbone interact. energy: -0.528
local terms energy: -212.061226
where:
bonds (distance) C4'-P energy: -44.940
bonds (distance) P-C4' energy: -42.510
flat angles C4'-P-C4' energy: -40.420
flat angles P-C4'-P energy: -25.767
tors. eta vs tors. theta energy: -58.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -596.754173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.754173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.754173 (E_RNA)
where:
Base-Base interactions energy: -389.307
where: short stacking energy: -177.451
Base-Backbone interact. energy: -0.899
local terms energy: -206.549017
where:
bonds (distance) C4'-P energy: -37.570
bonds (distance) P-C4' energy: -43.414
flat angles C4'-P-C4' energy: -38.038
flat angles P-C4'-P energy: -34.600
tors. eta vs tors. theta energy: -52.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -533.621959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.621959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.621959 (E_RNA)
where:
Base-Base interactions energy: -366.184
where: short stacking energy: -161.129
Base-Backbone interact. energy: 8.264
local terms energy: -175.701727
where:
bonds (distance) C4'-P energy: -39.939
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -45.237
flat angles P-C4'-P energy: -23.155
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: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -429.960368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.960368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.960368 (E_RNA)
where:
Base-Base interactions energy: -263.310
where: short stacking energy: -122.413
Base-Backbone interact. energy: 2.300
local terms energy: -168.949895
where:
bonds (distance) C4'-P energy: -39.998
bonds (distance) P-C4' energy: -47.203
flat angles C4'-P-C4' energy: -42.907
flat angles P-C4'-P energy: -20.429
tors. eta vs tors. theta energy: -18.412
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: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -381.550879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.550879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.550879 (E_RNA)
where:
Base-Base interactions energy: -220.023
where: short stacking energy: -105.838
Base-Backbone interact. energy: -1.627
local terms energy: -159.901021
where:
bonds (distance) C4'-P energy: -38.745
bonds (distance) P-C4' energy: -40.095
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -21.976
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: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -208.860603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.860603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.860603 (E_RNA)
where:
Base-Base interactions energy: -80.345
where: short stacking energy: -67.537
Base-Backbone interact. energy: 0.905
local terms energy: -129.420238
where:
bonds (distance) C4'-P energy: -38.344
bonds (distance) P-C4' energy: -39.194
flat angles C4'-P-C4' energy: -28.027
flat angles P-C4'-P energy: -23.163
tors. eta vs tors. theta energy: -0.693
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: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -752.533341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.533341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.533341 (E_RNA)
where:
Base-Base interactions energy: -523.493
where: short stacking energy: -220.337
Base-Backbone interact. energy: -1.575
local terms energy: -227.465190
where:
bonds (distance) C4'-P energy: -38.818
bonds (distance) P-C4' energy: -43.142
flat angles C4'-P-C4' energy: -42.575
flat angles P-C4'-P energy: -36.085
tors. eta vs tors. theta energy: -66.846
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: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -721.948436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.948436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.948436 (E_RNA)
where:
Base-Base interactions energy: -511.053
where: short stacking energy: -204.960
Base-Backbone interact. energy: 4.093
local terms energy: -214.988533
where:
bonds (distance) C4'-P energy: -35.800
bonds (distance) P-C4' energy: -41.224
flat angles C4'-P-C4' energy: -46.919
flat angles P-C4'-P energy: -36.826
tors. eta vs tors. theta energy: -54.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -693.883591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.883591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.883591 (E_RNA)
where:
Base-Base interactions energy: -465.585
where: short stacking energy: -211.974
Base-Backbone interact. energy: -0.535
local terms energy: -227.763629
where:
bonds (distance) C4'-P energy: -43.513
bonds (distance) P-C4' energy: -40.167
flat angles C4'-P-C4' energy: -44.352
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -68.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -684.040763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.040763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.040763 (E_RNA)
where:
Base-Base interactions energy: -462.045
where: short stacking energy: -215.329
Base-Backbone interact. energy: -1.044
local terms energy: -220.951727
where:
bonds (distance) C4'-P energy: -45.553
bonds (distance) P-C4' energy: -34.493
flat angles C4'-P-C4' energy: -48.954
flat angles P-C4'-P energy: -27.796
tors. eta vs tors. theta energy: -64.155
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: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -680.946482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.946482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.946482 (E_RNA)
where:
Base-Base interactions energy: -474.727
where: short stacking energy: -207.304
Base-Backbone interact. energy: 1.455
local terms energy: -207.674309
where:
bonds (distance) C4'-P energy: -35.948
bonds (distance) P-C4' energy: -35.171
flat angles C4'-P-C4' energy: -47.438
flat angles P-C4'-P energy: -32.225
tors. eta vs tors. theta energy: -56.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -529.525636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.525636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.525636 (E_RNA)
where:
Base-Base interactions energy: -345.911
where: short stacking energy: -153.551
Base-Backbone interact. energy: 1.543
local terms energy: -185.157371
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -37.322
flat angles C4'-P-C4' energy: -31.655
flat angles P-C4'-P energy: -30.729
tors. eta vs tors. theta energy: -40.370
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: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -508.292334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.292334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.292334 (E_RNA)
where:
Base-Base interactions energy: -327.913
where: short stacking energy: -141.684
Base-Backbone interact. energy: -0.382
local terms energy: -179.996829
where:
bonds (distance) C4'-P energy: -41.697
bonds (distance) P-C4' energy: -42.975
flat angles C4'-P-C4' energy: -39.662
flat angles P-C4'-P energy: -21.083
tors. eta vs tors. theta energy: -34.580
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: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -501.920580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.920580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.920580 (E_RNA)
where:
Base-Base interactions energy: -338.697
where: short stacking energy: -146.861
Base-Backbone interact. energy: 0.953
local terms energy: -164.175857
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -45.624
flat angles C4'-P-C4' energy: -33.210
flat angles P-C4'-P energy: -26.625
tors. eta vs tors. theta energy: -27.740
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: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -350.830097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.830097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.830097 (E_RNA)
where:
Base-Base interactions energy: -211.658
where: short stacking energy: -90.214
Base-Backbone interact. energy: -2.258
local terms energy: -136.914057
where:
bonds (distance) C4'-P energy: -37.573
bonds (distance) P-C4' energy: -33.482
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -23.483
tors. eta vs tors. theta energy: -10.438
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: 128
Temperature: 1.350000
Total energy: -206.383165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.383165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.383165 (E_RNA)
where:
Base-Base interactions energy: -74.374
where: short stacking energy: -52.865
Base-Backbone interact. energy: -0.551
local terms energy: -131.458659
where:
bonds (distance) C4'-P energy: -37.302
bonds (distance) P-C4' energy: -49.752
flat angles C4'-P-C4' energy: -25.720
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: 4.920
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: 1, replica: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -744.546123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.546123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.546123 (E_RNA)
where:
Base-Base interactions energy: -512.466
where: short stacking energy: -219.655
Base-Backbone interact. energy: -1.432
local terms energy: -230.647910
where:
bonds (distance) C4'-P energy: -41.077
bonds (distance) P-C4' energy: -49.721
flat angles C4'-P-C4' energy: -46.952
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -64.840
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: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -730.553844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.553844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.553844 (E_RNA)
where:
Base-Base interactions energy: -487.965
where: short stacking energy: -213.768
Base-Backbone interact. energy: 4.480
local terms energy: -247.068668
where:
bonds (distance) C4'-P energy: -45.268
bonds (distance) P-C4' energy: -49.516
flat angles C4'-P-C4' energy: -49.502
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -65.441
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: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -693.835404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.835404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.835404 (E_RNA)
where:
Base-Base interactions energy: -468.214
where: short stacking energy: -197.185
Base-Backbone interact. energy: 0.129
local terms energy: -225.750059
where:
bonds (distance) C4'-P energy: -38.813
bonds (distance) P-C4' energy: -44.987
flat angles C4'-P-C4' energy: -52.070
flat angles P-C4'-P energy: -32.391
tors. eta vs tors. theta energy: -57.489
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: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -688.513977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.513977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.513977 (E_RNA)
where:
Base-Base interactions energy: -467.767
where: short stacking energy: -199.113
Base-Backbone interact. energy: -1.263
local terms energy: -219.484206
where:
bonds (distance) C4'-P energy: -46.307
bonds (distance) P-C4' energy: -37.530
flat angles C4'-P-C4' energy: -39.029
flat angles P-C4'-P energy: -33.379
tors. eta vs tors. theta energy: -63.239
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: 129
Temperature: 1.100000
Total energy: -641.673439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.673439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.673439 (E_RNA)
where:
Base-Base interactions energy: -453.202
where: short stacking energy: -188.315
Base-Backbone interact. energy: -0.980
local terms energy: -187.491487
where:
bonds (distance) C4'-P energy: -37.501
bonds (distance) P-C4' energy: -40.957
flat angles C4'-P-C4' energy: -43.507
flat angles P-C4'-P energy: -22.033
tors. eta vs tors. theta energy: -43.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -527.505936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.505936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.505936 (E_RNA)
where:
Base-Base interactions energy: -346.846
where: short stacking energy: -154.706
Base-Backbone interact. energy: -1.158
local terms energy: -179.501353
where:
bonds (distance) C4'-P energy: -46.810
bonds (distance) P-C4' energy: -36.750
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -25.223
tors. eta vs tors. theta energy: -34.085
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: 1
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -521.362277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.362277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.362277 (E_RNA)
where:
Base-Base interactions energy: -350.119
where: short stacking energy: -166.187
Base-Backbone interact. energy: -0.247
local terms energy: -170.995813
where:
bonds (distance) C4'-P energy: -38.296
bonds (distance) P-C4' energy: -27.584
flat angles C4'-P-C4' energy: -37.233
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -46.681
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: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -510.615715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.615715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.615715 (E_RNA)
where:
Base-Base interactions energy: -339.238
where: short stacking energy: -161.326
Base-Backbone interact. energy: -0.546
local terms energy: -170.832404
where:
bonds (distance) C4'-P energy: -35.855
bonds (distance) P-C4' energy: -31.509
flat angles C4'-P-C4' energy: -41.301
flat angles P-C4'-P energy: -27.026
tors. eta vs tors. theta energy: -35.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -349.385262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.385262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.385262 (E_RNA)
where:
Base-Base interactions energy: -200.252
where: short stacking energy: -112.257
Base-Backbone interact. energy: 0.307
local terms energy: -149.440575
where:
bonds (distance) C4'-P energy: -33.745
bonds (distance) P-C4' energy: -38.658
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -15.267
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: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -193.585675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.585675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.585675 (E_RNA)
where:
Base-Base interactions energy: -62.944
where: short stacking energy: -51.914
Base-Backbone interact. energy: -3.917
local terms energy: -126.724231
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -34.709
flat angles P-C4'-P energy: -27.642
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: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -768.174107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.174107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.174107 (E_RNA)
where:
Base-Base interactions energy: -528.339
where: short stacking energy: -226.480
Base-Backbone interact. energy: -1.248
local terms energy: -238.587555
where:
bonds (distance) C4'-P energy: -42.903
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -52.387
flat angles P-C4'-P energy: -36.525
tors. eta vs tors. theta energy: -67.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -716.727611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.727611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.727611 (E_RNA)
where:
Base-Base interactions energy: -500.807
where: short stacking energy: -217.156
Base-Backbone interact. energy: 5.460
local terms energy: -221.380389
where:
bonds (distance) C4'-P energy: -41.560
bonds (distance) P-C4' energy: -33.487
flat angles C4'-P-C4' energy: -49.490
flat angles P-C4'-P energy: -32.172
tors. eta vs tors. theta energy: -64.672
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: 4
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -724.399745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.399745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.399745 (E_RNA)
where:
Base-Base interactions energy: -487.302
where: short stacking energy: -203.620
Base-Backbone interact. energy: 1.627
local terms energy: -238.724706
where:
bonds (distance) C4'-P energy: -49.481
bonds (distance) P-C4' energy: -49.309
flat angles C4'-P-C4' energy: -48.926
flat angles P-C4'-P energy: -35.580
tors. eta vs tors. theta energy: -55.429
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: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -671.373785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.373785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.373785 (E_RNA)
where:
Base-Base interactions energy: -438.389
where: short stacking energy: -195.297
Base-Backbone interact. energy: -0.846
local terms energy: -232.139193
where:
bonds (distance) C4'-P energy: -42.824
bonds (distance) P-C4' energy: -38.128
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -37.704
tors. eta vs tors. theta energy: -62.414
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: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -652.791244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.791244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.791244 (E_RNA)
where:
Base-Base interactions energy: -435.180
where: short stacking energy: -197.487
Base-Backbone interact. energy: 0.258
local terms energy: -217.869703
where:
bonds (distance) C4'-P energy: -44.093
bonds (distance) P-C4' energy: -44.856
flat angles C4'-P-C4' energy: -46.869
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: -52.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -510.959727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.959727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.959727 (E_RNA)
where:
Base-Base interactions energy: -331.135
where: short stacking energy: -147.882
Base-Backbone interact. energy: -0.928
local terms energy: -178.897385
where:
bonds (distance) C4'-P energy: -39.364
bonds (distance) P-C4' energy: -38.061
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -43.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -513.228817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.228817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.228817 (E_RNA)
where:
Base-Base interactions energy: -338.722
where: short stacking energy: -161.182
Base-Backbone interact. energy: -1.104
local terms energy: -173.402406
where:
bonds (distance) C4'-P energy: -37.315
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -47.541
flat angles P-C4'-P energy: -25.670
tors. eta vs tors. theta energy: -34.366
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: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -487.005625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.005625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.005625 (E_RNA)
where:
Base-Base interactions energy: -331.201
where: short stacking energy: -144.762
Base-Backbone interact. energy: -0.397
local terms energy: -155.407963
where:
bonds (distance) C4'-P energy: -28.388
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -47.632
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -28.247
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: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -411.800347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.800347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.800347 (E_RNA)
where:
Base-Base interactions energy: -242.255
where: short stacking energy: -128.076
Base-Backbone interact. energy: -2.222
local terms energy: -167.323324
where:
bonds (distance) C4'-P energy: -37.874
bonds (distance) P-C4' energy: -42.571
flat angles C4'-P-C4' energy: -33.563
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -26.705
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: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -194.156682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.156682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.156682 (E_RNA)
where:
Base-Base interactions energy: -86.377
where: short stacking energy: -65.226
Base-Backbone interact. energy: 0.844
local terms energy: -108.624020
where:
bonds (distance) C4'-P energy: -40.924
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: 15.263
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: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -748.796171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.796171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.796171 (E_RNA)
where:
Base-Base interactions energy: -510.603
where: short stacking energy: -203.681
Base-Backbone interact. energy: -2.010
local terms energy: -236.182800
where:
bonds (distance) C4'-P energy: -47.112
bonds (distance) P-C4' energy: -46.844
flat angles C4'-P-C4' energy: -41.522
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: -67.599
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: 2, replica: 4
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -716.701469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.701469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.701469 (E_RNA)
where:
Base-Base interactions energy: -493.264
where: short stacking energy: -223.089
Base-Backbone interact. energy: 1.515
local terms energy: -224.952560
where:
bonds (distance) C4'-P energy: -46.620
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -46.562
flat angles P-C4'-P energy: -28.397
tors. eta vs tors. theta energy: -51.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -717.501313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.501313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.501313 (E_RNA)
where:
Base-Base interactions energy: -503.816
where: short stacking energy: -202.294
Base-Backbone interact. energy: 4.947
local terms energy: -218.633150
where:
bonds (distance) C4'-P energy: -39.000
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -45.303
flat angles P-C4'-P energy: -29.561
tors. eta vs tors. theta energy: -57.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -680.681978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.681978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.681978 (E_RNA)
where:
Base-Base interactions energy: -446.453
where: short stacking energy: -192.771
Base-Backbone interact. energy: -0.371
local terms energy: -233.858384
where:
bonds (distance) C4'-P energy: -44.639
bonds (distance) P-C4' energy: -46.685
flat angles C4'-P-C4' energy: -51.131
flat angles P-C4'-P energy: -29.516
tors. eta vs tors. theta energy: -61.887
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: 5, replica: 5
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -647.307420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.307420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.307420 (E_RNA)
where:
Base-Base interactions energy: -442.323
where: short stacking energy: -192.444
Base-Backbone interact. energy: -0.805
local terms energy: -204.179075
where:
bonds (distance) C4'-P energy: -41.613
bonds (distance) P-C4' energy: -39.360
flat angles C4'-P-C4' energy: -45.034
flat angles P-C4'-P energy: -28.305
tors. eta vs tors. theta energy: -49.867
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: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -543.308736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.308736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.308736 (E_RNA)
where:
Base-Base interactions energy: -351.662
where: short stacking energy: -162.779
Base-Backbone interact. energy: 0.962
local terms energy: -192.608730
where:
bonds (distance) C4'-P energy: -37.605
bonds (distance) P-C4' energy: -42.920
flat angles C4'-P-C4' energy: -41.266
flat angles P-C4'-P energy: -27.879
tors. eta vs tors. theta energy: -42.939
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: 131
Temperature: 1.200000
Total energy: -489.858528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.858528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.858528 (E_RNA)
where:
Base-Base interactions energy: -307.056
where: short stacking energy: -136.044
Base-Backbone interact. energy: -0.316
local terms energy: -182.486844
where:
bonds (distance) C4'-P energy: -42.044
bonds (distance) P-C4' energy: -47.417
flat angles C4'-P-C4' energy: -41.088
flat angles P-C4'-P energy: -25.333
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -491.170775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.170775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.170775 (E_RNA)
where:
Base-Base interactions energy: -316.863
where: short stacking energy: -146.532
Base-Backbone interact. energy: 1.207
local terms energy: -175.514654
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -36.320
flat angles C4'-P-C4' energy: -44.878
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -30.239
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: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -378.448618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.448618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.448618 (E_RNA)
where:
Base-Base interactions energy: -237.606
where: short stacking energy: -121.572
Base-Backbone interact. energy: -1.871
local terms energy: -138.970983
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -32.400
flat angles C4'-P-C4' energy: -37.476
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -18.194
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: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -207.735681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.735681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.735681 (E_RNA)
where:
Base-Base interactions energy: -78.829
where: short stacking energy: -58.450
Base-Backbone interact. energy: -0.478
local terms energy: -128.428689
where:
bonds (distance) C4'-P energy: -37.720
bonds (distance) P-C4' energy: -37.498
flat angles C4'-P-C4' energy: -40.943
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: 4.223
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: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -761.026773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.026773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.026773 (E_RNA)
where:
Base-Base interactions energy: -527.011
where: short stacking energy: -221.325
Base-Backbone interact. energy: -2.336
local terms energy: -231.679343
where:
bonds (distance) C4'-P energy: -38.645
bonds (distance) P-C4' energy: -41.329
flat angles C4'-P-C4' energy: -48.440
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -71.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -720.403327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.403327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.403327 (E_RNA)
where:
Base-Base interactions energy: -487.096
where: short stacking energy: -199.472
Base-Backbone interact. energy: -0.602
local terms energy: -232.705564
where:
bonds (distance) C4'-P energy: -43.873
bonds (distance) P-C4' energy: -45.824
flat angles C4'-P-C4' energy: -50.860
flat angles P-C4'-P energy: -36.404
tors. eta vs tors. theta energy: -55.746
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: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -714.292517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.292517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.292517 (E_RNA)
where:
Base-Base interactions energy: -500.153
where: short stacking energy: -201.098
Base-Backbone interact. energy: 4.964
local terms energy: -219.103294
where:
bonds (distance) C4'-P energy: -37.013
bonds (distance) P-C4' energy: -42.578
flat angles C4'-P-C4' energy: -49.457
flat angles P-C4'-P energy: -33.611
tors. eta vs tors. theta energy: -56.445
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: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -678.082795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.082795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.082795 (E_RNA)
where:
Base-Base interactions energy: -460.714
where: short stacking energy: -198.956
Base-Backbone interact. energy: 0.015
local terms energy: -217.383513
where:
bonds (distance) C4'-P energy: -37.318
bonds (distance) P-C4' energy: -41.360
flat angles C4'-P-C4' energy: -45.739
flat angles P-C4'-P energy: -35.494
tors. eta vs tors. theta energy: -57.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -657.893178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.893178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.893178 (E_RNA)
where:
Base-Base interactions energy: -451.226
where: short stacking energy: -189.059
Base-Backbone interact. energy: -1.374
local terms energy: -205.293124
where:
bonds (distance) C4'-P energy: -38.411
bonds (distance) P-C4' energy: -40.566
flat angles C4'-P-C4' energy: -42.534
flat angles P-C4'-P energy: -25.778
tors. eta vs tors. theta energy: -58.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -534.626429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.626429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.626429 (E_RNA)
where:
Base-Base interactions energy: -356.584
where: short stacking energy: -161.365
Base-Backbone interact. energy: -0.464
local terms energy: -177.579151
where:
bonds (distance) C4'-P energy: -31.012
bonds (distance) P-C4' energy: -36.106
flat angles C4'-P-C4' energy: -44.010
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: -40.882
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: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -526.263500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.263500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.263500 (E_RNA)
where:
Base-Base interactions energy: -352.248
where: short stacking energy: -151.288
Base-Backbone interact. energy: 1.601
local terms energy: -175.615674
where:
bonds (distance) C4'-P energy: -40.894
bonds (distance) P-C4' energy: -35.435
flat angles C4'-P-C4' energy: -44.218
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: -36.103
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: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -477.773384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.773384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.773384 (E_RNA)
where:
Base-Base interactions energy: -319.822
where: short stacking energy: -141.081
Base-Backbone interact. energy: -1.418
local terms energy: -156.533366
where:
bonds (distance) C4'-P energy: -35.163
bonds (distance) P-C4' energy: -32.087
flat angles C4'-P-C4' energy: -37.960
flat angles P-C4'-P energy: -25.102
tors. eta vs tors. theta energy: -26.221
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: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -378.534886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.534886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.534886 (E_RNA)
where:
Base-Base interactions energy: -220.628
where: short stacking energy: -110.022
Base-Backbone interact. energy: -0.005
local terms energy: -157.901944
where:
bonds (distance) C4'-P energy: -39.178
bonds (distance) P-C4' energy: -44.451
flat angles C4'-P-C4' energy: -37.878
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -19.564
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: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -204.534794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.534794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.534794 (E_RNA)
where:
Base-Base interactions energy: -75.355
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.500
local terms energy: -128.679715
where:
bonds (distance) C4'-P energy: -38.088
bonds (distance) P-C4' energy: -36.698
flat angles C4'-P-C4' energy: -40.296
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: 10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -765.440560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.440560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.440560 (E_RNA)
where:
Base-Base interactions energy: -529.807
where: short stacking energy: -231.313
Base-Backbone interact. energy: -2.702
local terms energy: -232.931243
where:
bonds (distance) C4'-P energy: -41.173
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -36.689
tors. eta vs tors. theta energy: -70.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -705.291646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.291646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.291646 (E_RNA)
where:
Base-Base interactions energy: -497.533
where: short stacking energy: -209.575
Base-Backbone interact. energy: 3.348
local terms energy: -211.106693
where:
bonds (distance) C4'-P energy: -45.191
bonds (distance) P-C4' energy: -30.510
flat angles C4'-P-C4' energy: -44.063
flat angles P-C4'-P energy: -28.965
tors. eta vs tors. theta energy: -62.379
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: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -712.941431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.941431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.941431 (E_RNA)
where:
Base-Base interactions energy: -478.240
where: short stacking energy: -209.448
Base-Backbone interact. energy: -0.749
local terms energy: -233.952649
where:
bonds (distance) C4'-P energy: -43.686
bonds (distance) P-C4' energy: -48.246
flat angles C4'-P-C4' energy: -46.687
flat angles P-C4'-P energy: -36.696
tors. eta vs tors. theta energy: -58.638
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: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -668.205243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.205243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.205243 (E_RNA)
where:
Base-Base interactions energy: -449.315
where: short stacking energy: -189.875
Base-Backbone interact. energy: -0.582
local terms energy: -218.308032
where:
bonds (distance) C4'-P energy: -37.321
bonds (distance) P-C4' energy: -45.789
flat angles C4'-P-C4' energy: -49.326
flat angles P-C4'-P energy: -33.389
tors. eta vs tors. theta energy: -52.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -657.727011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.727011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.727011 (E_RNA)
where:
Base-Base interactions energy: -446.788
where: short stacking energy: -198.979
Base-Backbone interact. energy: 1.109
local terms energy: -212.047433
where:
bonds (distance) C4'-P energy: -39.829
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -45.901
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -48.944
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: 1
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -568.264587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.264587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.264587 (E_RNA)
where:
Base-Base interactions energy: -368.234
where: short stacking energy: -159.909
Base-Backbone interact. energy: 1.106
local terms energy: -201.136667
where:
bonds (distance) C4'-P energy: -47.979
bonds (distance) P-C4' energy: -39.194
flat angles C4'-P-C4' energy: -44.271
flat angles P-C4'-P energy: -28.376
tors. eta vs tors. theta energy: -41.317
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: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -548.186284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.186284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.186284 (E_RNA)
where:
Base-Base interactions energy: -355.811
where: short stacking energy: -157.325
Base-Backbone interact. energy: -0.906
local terms energy: -191.469512
where:
bonds (distance) C4'-P energy: -34.362
bonds (distance) P-C4' energy: -35.203
flat angles C4'-P-C4' energy: -47.809
flat angles P-C4'-P energy: -31.498
tors. eta vs tors. theta energy: -42.598
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -480.306028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.306028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.306028 (E_RNA)
where:
Base-Base interactions energy: -309.092
where: short stacking energy: -130.527
Base-Backbone interact. energy: -0.917
local terms energy: -170.297717
where:
bonds (distance) C4'-P energy: -32.690
bonds (distance) P-C4' energy: -44.644
flat angles C4'-P-C4' energy: -36.013
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -32.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -371.362168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.362168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.362168 (E_RNA)
where:
Base-Base interactions energy: -226.500
where: short stacking energy: -106.719
Base-Backbone interact. energy: -1.379
local terms energy: -143.482834
where:
bonds (distance) C4'-P energy: -30.236
bonds (distance) P-C4' energy: -44.580
flat angles C4'-P-C4' energy: -30.685
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -14.665
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: 10, replica: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -221.573268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.573268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.573268 (E_RNA)
where:
Base-Base interactions energy: -95.229
where: short stacking energy: -60.164
Base-Backbone interact. energy: -1.158
local terms energy: -125.186192
where:
bonds (distance) C4'-P energy: -40.420
bonds (distance) P-C4' energy: -41.674
flat angles C4'-P-C4' energy: -30.479
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: 9.952
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: 3
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -739.918057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.918057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.918057 (E_RNA)
where:
Base-Base interactions energy: -515.009
where: short stacking energy: -218.052
Base-Backbone interact. energy: 5.965
local terms energy: -230.874443
where:
bonds (distance) C4'-P energy: -47.193
bonds (distance) P-C4' energy: -44.641
flat angles C4'-P-C4' energy: -40.039
flat angles P-C4'-P energy: -39.459
tors. eta vs tors. theta energy: -59.542
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: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -750.372655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.372655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.372655 (E_RNA)
where:
Base-Base interactions energy: -524.661
where: short stacking energy: -212.777
Base-Backbone interact. energy: -1.344
local terms energy: -224.366783
where:
bonds (distance) C4'-P energy: -38.776
bonds (distance) P-C4' energy: -38.234
flat angles C4'-P-C4' energy: -46.460
flat angles P-C4'-P energy: -31.457
tors. eta vs tors. theta energy: -69.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -699.986248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.986248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.986248 (E_RNA)
where:
Base-Base interactions energy: -467.061
where: short stacking energy: -209.897
Base-Backbone interact. energy: -0.840
local terms energy: -232.084916
where:
bonds (distance) C4'-P energy: -42.289
bonds (distance) P-C4' energy: -51.643
flat angles C4'-P-C4' energy: -43.072
flat angles P-C4'-P energy: -35.626
tors. eta vs tors. theta energy: -59.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -686.049342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.049342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.049342 (E_RNA)
where:
Base-Base interactions energy: -476.694
where: short stacking energy: -198.878
Base-Backbone interact. energy: -1.077
local terms energy: -208.278515
where:
bonds (distance) C4'-P energy: -38.620
bonds (distance) P-C4' energy: -30.341
flat angles C4'-P-C4' energy: -49.684
flat angles P-C4'-P energy: -31.592
tors. eta vs tors. theta energy: -58.041
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: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -679.502103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.502103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.502103 (E_RNA)
where:
Base-Base interactions energy: -468.839
where: short stacking energy: -213.725
Base-Backbone interact. energy: -0.467
local terms energy: -210.196090
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -42.523
flat angles C4'-P-C4' energy: -44.095
flat angles P-C4'-P energy: -29.779
tors. eta vs tors. theta energy: -60.106
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: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -593.341618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.341618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.341618 (E_RNA)
where:
Base-Base interactions energy: -393.142
where: short stacking energy: -180.976
Base-Backbone interact. energy: 1.863
local terms energy: -202.063016
where:
bonds (distance) C4'-P energy: -31.750
bonds (distance) P-C4' energy: -39.716
flat angles C4'-P-C4' energy: -42.414
flat angles P-C4'-P energy: -33.667
tors. eta vs tors. theta energy: -54.516
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: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -514.713509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.713509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.713509 (E_RNA)
where:
Base-Base interactions energy: -345.919
where: short stacking energy: -157.551
Base-Backbone interact. energy: -0.263
local terms energy: -168.531526
where:
bonds (distance) C4'-P energy: -37.874
bonds (distance) P-C4' energy: -39.790
flat angles C4'-P-C4' energy: -28.198
flat angles P-C4'-P energy: -25.958
tors. eta vs tors. theta energy: -36.711
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: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -447.627897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.627897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.627897 (E_RNA)
where:
Base-Base interactions energy: -293.267
where: short stacking energy: -135.019
Base-Backbone interact. energy: -0.463
local terms energy: -153.897828
where:
bonds (distance) C4'-P energy: -34.850
bonds (distance) P-C4' energy: -29.688
flat angles C4'-P-C4' energy: -38.906
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -416.677198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.677198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.677198 (E_RNA)
where:
Base-Base interactions energy: -256.145
where: short stacking energy: -136.147
Base-Backbone interact. energy: -0.336
local terms energy: -160.196182
where:
bonds (distance) C4'-P energy: -36.769
bonds (distance) P-C4' energy: -35.536
flat angles C4'-P-C4' energy: -32.897
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -31.873
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: 9
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -234.121474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.121474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.121474 (E_RNA)
where:
Base-Base interactions energy: -84.693
where: short stacking energy: -60.430
Base-Backbone interact. energy: -0.017
local terms energy: -149.410988
where:
bonds (distance) C4'-P energy: -44.582
bonds (distance) P-C4' energy: -55.053
flat angles C4'-P-C4' energy: -32.844
flat angles P-C4'-P energy: -22.406
tors. eta vs tors. theta energy: 5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -734.022548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.022548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.022548 (E_RNA)
where:
Base-Base interactions energy: -498.699
where: short stacking energy: -216.507
Base-Backbone interact. energy: 6.155
local terms energy: -241.478534
where:
bonds (distance) C4'-P energy: -46.875
bonds (distance) P-C4' energy: -50.340
flat angles C4'-P-C4' energy: -49.283
flat angles P-C4'-P energy: -31.603
tors. eta vs tors. theta energy: -63.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -759.407529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.407529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.407529 (E_RNA)
where:
Base-Base interactions energy: -532.664
where: short stacking energy: -218.845
Base-Backbone interact. energy: -2.116
local terms energy: -224.627648
where:
bonds (distance) C4'-P energy: -44.827
bonds (distance) P-C4' energy: -38.549
flat angles C4'-P-C4' energy: -47.619
flat angles P-C4'-P energy: -26.118
tors. eta vs tors. theta energy: -67.514
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: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -700.265821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.265821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.265821 (E_RNA)
where:
Base-Base interactions energy: -482.108
where: short stacking energy: -224.141
Base-Backbone interact. energy: -1.143
local terms energy: -217.014486
where:
bonds (distance) C4'-P energy: -40.957
bonds (distance) P-C4' energy: -36.191
flat angles C4'-P-C4' energy: -41.817
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -61.621
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: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -687.128121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.128121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.128121 (E_RNA)
where:
Base-Base interactions energy: -473.825
where: short stacking energy: -224.332
Base-Backbone interact. energy: -1.157
local terms energy: -212.146925
where:
bonds (distance) C4'-P energy: -28.287
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -48.554
flat angles P-C4'-P energy: -31.107
tors. eta vs tors. theta energy: -61.835
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: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -662.374699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.374699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.374699 (E_RNA)
where:
Base-Base interactions energy: -469.756
where: short stacking energy: -206.790
Base-Backbone interact. energy: -2.100
local terms energy: -190.518380
where:
bonds (distance) C4'-P energy: -37.691
bonds (distance) P-C4' energy: -39.348
flat angles C4'-P-C4' energy: -27.410
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -55.111
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: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -574.427266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.427266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.427266 (E_RNA)
where:
Base-Base interactions energy: -369.648
where: short stacking energy: -183.062
Base-Backbone interact. energy: -0.576
local terms energy: -204.203534
where:
bonds (distance) C4'-P energy: -41.333
bonds (distance) P-C4' energy: -34.079
flat angles C4'-P-C4' energy: -47.899
flat angles P-C4'-P energy: -27.543
tors. eta vs tors. theta energy: -53.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -537.205149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.205149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.205149 (E_RNA)
where:
Base-Base interactions energy: -340.178
where: short stacking energy: -169.062
Base-Backbone interact. energy: 1.064
local terms energy: -198.091524
where:
bonds (distance) C4'-P energy: -38.921
bonds (distance) P-C4' energy: -46.683
flat angles C4'-P-C4' energy: -40.353
flat angles P-C4'-P energy: -30.631
tors. eta vs tors. theta energy: -41.504
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: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -461.723033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.723033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.723033 (E_RNA)
where:
Base-Base interactions energy: -301.817
where: short stacking energy: -137.401
Base-Backbone interact. energy: 0.405
local terms energy: -160.311056
where:
bonds (distance) C4'-P energy: -39.644
bonds (distance) P-C4' energy: -43.964
flat angles C4'-P-C4' energy: -32.989
flat angles P-C4'-P energy: -22.182
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -370.050454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.050454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.050454 (E_RNA)
where:
Base-Base interactions energy: -212.316
where: short stacking energy: -119.654
Base-Backbone interact. energy: -0.735
local terms energy: -156.998876
where:
bonds (distance) C4'-P energy: -37.886
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -38.030
flat angles P-C4'-P energy: -21.875
tors. eta vs tors. theta energy: -28.882
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: 9
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -187.603200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.603200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.603200 (E_RNA)
where:
Base-Base interactions energy: -69.396
where: short stacking energy: -40.937
Base-Backbone interact. energy: 1.398
local terms energy: -119.605722
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -44.301
flat angles C4'-P-C4' energy: -34.362
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: 8.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -755.508583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.508583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.508583 (E_RNA)
where:
Base-Base interactions energy: -525.684
where: short stacking energy: -208.361
Base-Backbone interact. energy: -1.350
local terms energy: -228.474385
where:
bonds (distance) C4'-P energy: -46.261
bonds (distance) P-C4' energy: -41.702
flat angles C4'-P-C4' energy: -46.086
flat angles P-C4'-P energy: -27.529
tors. eta vs tors. theta energy: -66.896
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: 3
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -734.737147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.737147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.737147 (E_RNA)
where:
Base-Base interactions energy: -499.169
where: short stacking energy: -215.158
Base-Backbone interact. energy: 5.078
local terms energy: -240.645467
where:
bonds (distance) C4'-P energy: -44.570
bonds (distance) P-C4' energy: -48.383
flat angles C4'-P-C4' energy: -48.917
flat angles P-C4'-P energy: -34.290
tors. eta vs tors. theta energy: -64.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -688.850420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.850420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.850420 (E_RNA)
where:
Base-Base interactions energy: -467.903
where: short stacking energy: -207.860
Base-Backbone interact. energy: -0.795
local terms energy: -220.152467
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -41.771
flat angles C4'-P-C4' energy: -42.535
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -65.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -695.246959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.246959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.246959 (E_RNA)
where:
Base-Base interactions energy: -465.951
where: short stacking energy: -226.420
Base-Backbone interact. energy: -0.014
local terms energy: -229.281154
where:
bonds (distance) C4'-P energy: -36.980
bonds (distance) P-C4' energy: -39.382
flat angles C4'-P-C4' energy: -51.053
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: -69.696
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: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -669.839183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.839183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.839183 (E_RNA)
where:
Base-Base interactions energy: -466.823
where: short stacking energy: -193.284
Base-Backbone interact. energy: 0.345
local terms energy: -203.361181
where:
bonds (distance) C4'-P energy: -31.593
bonds (distance) P-C4' energy: -44.820
flat angles C4'-P-C4' energy: -43.546
flat angles P-C4'-P energy: -28.800
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: 6, replica: 1
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -585.595610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.595610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.595610 (E_RNA)
where:
Base-Base interactions energy: -372.862
where: short stacking energy: -187.824
Base-Backbone interact. energy: -1.231
local terms energy: -211.502640
where:
bonds (distance) C4'-P energy: -44.107
bonds (distance) P-C4' energy: -42.037
flat angles C4'-P-C4' energy: -44.635
flat angles P-C4'-P energy: -27.562
tors. eta vs tors. theta energy: -53.162
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: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -518.451854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.451854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.451854 (E_RNA)
where:
Base-Base interactions energy: -344.018
where: short stacking energy: -163.751
Base-Backbone interact. energy: -0.641
local terms energy: -173.792269
where:
bonds (distance) C4'-P energy: -39.695
bonds (distance) P-C4' energy: -37.292
flat angles C4'-P-C4' energy: -37.669
flat angles P-C4'-P energy: -25.937
tors. eta vs tors. theta energy: -33.199
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: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -467.112803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.112803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.112803 (E_RNA)
where:
Base-Base interactions energy: -297.080
where: short stacking energy: -152.100
Base-Backbone interact. energy: 0.353
local terms energy: -170.385552
where:
bonds (distance) C4'-P energy: -25.958
bonds (distance) P-C4' energy: -39.001
flat angles C4'-P-C4' energy: -41.653
flat angles P-C4'-P energy: -27.003
tors. eta vs tors. theta energy: -36.769
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: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -391.708284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.708284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.708284 (E_RNA)
where:
Base-Base interactions energy: -201.074
where: short stacking energy: -95.980
Base-Backbone interact. energy: -1.017
local terms energy: -189.616739
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -43.098
flat angles P-C4'-P energy: -22.892
tors. eta vs tors. theta energy: -28.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -208.377110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.377110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.377110 (E_RNA)
where:
Base-Base interactions energy: -71.074
where: short stacking energy: -70.776
Base-Backbone interact. energy: 0.018
local terms energy: -137.321372
where:
bonds (distance) C4'-P energy: -29.925
bonds (distance) P-C4' energy: -39.927
flat angles C4'-P-C4' energy: -36.383
flat angles P-C4'-P energy: -20.445
tors. eta vs tors. theta energy: -10.642
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: 1, replica: 6
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -750.300502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.300502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.300502 (E_RNA)
where:
Base-Base interactions energy: -513.747
where: short stacking energy: -220.164
Base-Backbone interact. energy: -2.773
local terms energy: -233.779728
where:
bonds (distance) C4'-P energy: -43.264
bonds (distance) P-C4' energy: -45.183
flat angles C4'-P-C4' energy: -50.445
flat angles P-C4'-P energy: -27.135
tors. eta vs tors. theta energy: -67.754
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: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -695.772377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.772377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.772377 (E_RNA)
where:
Base-Base interactions energy: -457.979
where: short stacking energy: -198.097
Base-Backbone interact. energy: -1.168
local terms energy: -236.626031
where:
bonds (distance) C4'-P energy: -47.776
bonds (distance) P-C4' energy: -45.273
flat angles C4'-P-C4' energy: -49.837
flat angles P-C4'-P energy: -34.179
tors. eta vs tors. theta energy: -59.562
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: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -690.315771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.315771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.315771 (E_RNA)
where:
Base-Base interactions energy: -480.999
where: short stacking energy: -223.520
Base-Backbone interact. energy: 1.159
local terms energy: -210.475804
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -39.538
flat angles C4'-P-C4' energy: -46.799
flat angles P-C4'-P energy: -26.241
tors. eta vs tors. theta energy: -62.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -692.499590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.499590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.499590 (E_RNA)
where:
Base-Base interactions energy: -470.096
where: short stacking energy: -220.786
Base-Backbone interact. energy: 2.975
local terms energy: -225.378550
where:
bonds (distance) C4'-P energy: -39.994
bonds (distance) P-C4' energy: -43.317
flat angles C4'-P-C4' energy: -50.847
flat angles P-C4'-P energy: -20.162
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: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -669.011979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.011979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.011979 (E_RNA)
where:
Base-Base interactions energy: -458.157
where: short stacking energy: -193.576
Base-Backbone interact. energy: -1.754
local terms energy: -209.101481
where:
bonds (distance) C4'-P energy: -40.582
bonds (distance) P-C4' energy: -38.428
flat angles C4'-P-C4' energy: -43.698
flat angles P-C4'-P energy: -35.106
tors. eta vs tors. theta energy: -51.288
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: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -592.795871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.795871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.795871 (E_RNA)
where:
Base-Base interactions energy: -382.168
where: short stacking energy: -172.709
Base-Backbone interact. energy: 0.701
local terms energy: -211.328956
where:
bonds (distance) C4'-P energy: -41.238
bonds (distance) P-C4' energy: -42.972
flat angles C4'-P-C4' energy: -43.047
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -56.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -538.664769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.664769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.664769 (E_RNA)
where:
Base-Base interactions energy: -354.817
where: short stacking energy: -149.301
Base-Backbone interact. energy: -1.918
local terms energy: -181.929789
where:
bonds (distance) C4'-P energy: -37.938
bonds (distance) P-C4' energy: -36.449
flat angles C4'-P-C4' energy: -42.108
flat angles P-C4'-P energy: -25.931
tors. eta vs tors. theta energy: -39.504
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: 10
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -452.336536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.336536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.336536 (E_RNA)
where:
Base-Base interactions energy: -272.074
where: short stacking energy: -148.635
Base-Backbone interact. energy: -1.764
local terms energy: -178.499197
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -48.876
flat angles C4'-P-C4' energy: -31.710
flat angles P-C4'-P energy: -29.575
tors. eta vs tors. theta energy: -35.790
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: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -428.175158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.175158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.175158 (E_RNA)
where:
Base-Base interactions energy: -273.545
where: short stacking energy: -125.434
Base-Backbone interact. energy: 0.553
local terms energy: -155.183477
where:
bonds (distance) C4'-P energy: -36.424
bonds (distance) P-C4' energy: -36.419
flat angles C4'-P-C4' energy: -39.045
flat angles P-C4'-P energy: -20.242
tors. eta vs tors. theta energy: -23.053
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: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -197.440413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.440413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.440413 (E_RNA)
where:
Base-Base interactions energy: -75.060
where: short stacking energy: -71.316
Base-Backbone interact. energy: -1.688
local terms energy: -120.693314
where:
bonds (distance) C4'-P energy: -38.573
bonds (distance) P-C4' energy: -36.877
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -17.355
tors. eta vs tors. theta energy: -5.869
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: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -715.967369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.967369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.967369 (E_RNA)
where:
Base-Base interactions energy: -493.734
where: short stacking energy: -215.254
Base-Backbone interact. energy: -1.014
local terms energy: -221.219648
where:
bonds (distance) C4'-P energy: -46.650
bonds (distance) P-C4' energy: -44.444
flat angles C4'-P-C4' energy: -48.841
flat angles P-C4'-P energy: -19.970
tors. eta vs tors. theta energy: -61.316
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: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -738.397267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.397267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.397267 (E_RNA)
where:
Base-Base interactions energy: -515.846
where: short stacking energy: -212.718
Base-Backbone interact. energy: -1.213
local terms energy: -221.338271
where:
bonds (distance) C4'-P energy: -34.095
bonds (distance) P-C4' energy: -50.800
flat angles C4'-P-C4' energy: -43.934
flat angles P-C4'-P energy: -28.768
tors. eta vs tors. theta energy: -63.742
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: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -714.551839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.551839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.551839 (E_RNA)
where:
Base-Base interactions energy: -489.464
where: short stacking energy: -211.561
Base-Backbone interact. energy: -0.853
local terms energy: -224.234695
where:
bonds (distance) C4'-P energy: -34.655
bonds (distance) P-C4' energy: -40.420
flat angles C4'-P-C4' energy: -49.892
flat angles P-C4'-P energy: -32.563
tors. eta vs tors. theta energy: -66.704
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: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -684.139936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.139936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.139936 (E_RNA)
where:
Base-Base interactions energy: -471.465
where: short stacking energy: -201.380
Base-Backbone interact. energy: -0.145
local terms energy: -212.529845
where:
bonds (distance) C4'-P energy: -39.470
bonds (distance) P-C4' energy: -39.808
flat angles C4'-P-C4' energy: -45.000
flat angles P-C4'-P energy: -29.635
tors. eta vs tors. theta energy: -58.616
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: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -660.389172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.389172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.389172 (E_RNA)
where:
Base-Base interactions energy: -458.152
where: short stacking energy: -195.319
Base-Backbone interact. energy: 0.919
local terms energy: -203.155790
where:
bonds (distance) C4'-P energy: -40.505
bonds (distance) P-C4' energy: -39.034
flat angles C4'-P-C4' energy: -48.708
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -52.072
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: 6, replica: 1
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -595.706054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.706054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.706054 (E_RNA)
where:
Base-Base interactions energy: -404.222
where: short stacking energy: -179.828
Base-Backbone interact. energy: -1.036
local terms energy: -190.448845
where:
bonds (distance) C4'-P energy: -44.866
bonds (distance) P-C4' energy: -42.664
flat angles C4'-P-C4' energy: -29.468
flat angles P-C4'-P energy: -23.737
tors. eta vs tors. theta energy: -49.713
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: 7, replica: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -457.262571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.262571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.262571 (E_RNA)
where:
Base-Base interactions energy: -274.859
where: short stacking energy: -141.529
Base-Backbone interact. energy: -0.443
local terms energy: -181.960596
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -42.340
flat angles C4'-P-C4' energy: -43.105
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: -29.521
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: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -545.097774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.097774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.097774 (E_RNA)
where:
Base-Base interactions energy: -353.395
where: short stacking energy: -155.527
Base-Backbone interact. energy: -1.794
local terms energy: -189.908691
where:
bonds (distance) C4'-P energy: -34.860
bonds (distance) P-C4' energy: -43.751
flat angles C4'-P-C4' energy: -42.011
flat angles P-C4'-P energy: -32.176
tors. eta vs tors. theta energy: -37.109
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: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -380.106048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.106048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.106048 (E_RNA)
where:
Base-Base interactions energy: -226.914
where: short stacking energy: -100.722
Base-Backbone interact. energy: -1.111
local terms energy: -152.080393
where:
bonds (distance) C4'-P energy: -29.475
bonds (distance) P-C4' energy: -40.085
flat angles C4'-P-C4' energy: -40.825
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -223.776058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.776058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.776058 (E_RNA)
where:
Base-Base interactions energy: -93.238
where: short stacking energy: -81.865
Base-Backbone interact. energy: -0.588
local terms energy: -129.950091
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -36.091
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -23.311
tors. eta vs tors. theta energy: -11.810
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: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -744.818202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.818202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.818202 (E_RNA)
where:
Base-Base interactions energy: -510.057
where: short stacking energy: -232.000
Base-Backbone interact. energy: -0.588
local terms energy: -234.173518
where:
bonds (distance) C4'-P energy: -46.166
bonds (distance) P-C4' energy: -43.405
flat angles C4'-P-C4' energy: -49.065
flat angles P-C4'-P energy: -32.287
tors. eta vs tors. theta energy: -63.250
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: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -725.526276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.526276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.526276 (E_RNA)
where:
Base-Base interactions energy: -494.662
where: short stacking energy: -208.112
Base-Backbone interact. energy: -1.538
local terms energy: -229.326114
where:
bonds (distance) C4'-P energy: -43.351
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -44.562
flat angles P-C4'-P energy: -31.725
tors. eta vs tors. theta energy: -58.590
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: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -715.900025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.900025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.900025 (E_RNA)
where:
Base-Base interactions energy: -478.225
where: short stacking energy: -218.096
Base-Backbone interact. energy: -1.129
local terms energy: -236.545276
where:
bonds (distance) C4'-P energy: -48.219
bonds (distance) P-C4' energy: -44.667
flat angles C4'-P-C4' energy: -45.365
flat angles P-C4'-P energy: -34.467
tors. eta vs tors. theta energy: -63.828
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: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -698.209162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.209162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.209162 (E_RNA)
where:
Base-Base interactions energy: -479.077
where: short stacking energy: -213.996
Base-Backbone interact. energy: -0.457
local terms energy: -218.675051
where:
bonds (distance) C4'-P energy: -37.108
bonds (distance) P-C4' energy: -35.554
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: -68.071
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: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -650.888431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.888431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.888431 (E_RNA)
where:
Base-Base interactions energy: -449.883
where: short stacking energy: -198.049
Base-Backbone interact. energy: -1.202
local terms energy: -199.803439
where:
bonds (distance) C4'-P energy: -45.821
bonds (distance) P-C4' energy: -28.520
flat angles C4'-P-C4' energy: -37.768
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -59.141
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: 1
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -614.783851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.783851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.783851 (E_RNA)
where:
Base-Base interactions energy: -407.033
where: short stacking energy: -191.900
Base-Backbone interact. energy: -2.561
local terms energy: -205.189731
where:
bonds (distance) C4'-P energy: -46.268
bonds (distance) P-C4' energy: -41.397
flat angles C4'-P-C4' energy: -47.646
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -45.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -488.451228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.451228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.451228 (E_RNA)
where:
Base-Base interactions energy: -309.052
where: short stacking energy: -148.016
Base-Backbone interact. energy: -0.326
local terms energy: -179.072432
where:
bonds (distance) C4'-P energy: -36.393
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -39.457
flat angles P-C4'-P energy: -28.273
tors. eta vs tors. theta energy: -38.108
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: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -531.255611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.255611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.255611 (E_RNA)
where:
Base-Base interactions energy: -364.329
where: short stacking energy: -158.997
Base-Backbone interact. energy: -1.082
local terms energy: -165.844617
where:
bonds (distance) C4'-P energy: -31.571
bonds (distance) P-C4' energy: -42.410
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -18.585
tors. eta vs tors. theta energy: -41.238
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: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -404.163583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.163583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.163583 (E_RNA)
where:
Base-Base interactions energy: -265.923
where: short stacking energy: -107.587
Base-Backbone interact. energy: 0.885
local terms energy: -139.126189
where:
bonds (distance) C4'-P energy: -40.287
bonds (distance) P-C4' energy: -36.890
flat angles C4'-P-C4' energy: -31.571
flat angles P-C4'-P energy: -19.730
tors. eta vs tors. theta energy: -10.648
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: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -199.766639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.766639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.766639 (E_RNA)
where:
Base-Base interactions energy: -83.779
where: short stacking energy: -59.672
Base-Backbone interact. energy: -0.510
local terms energy: -115.477160
where:
bonds (distance) C4'-P energy: -31.257
bonds (distance) P-C4' energy: -40.014
flat angles C4'-P-C4' energy: -31.090
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: 1.232
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: 1, replica: 6
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -740.542439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.542439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.542439 (E_RNA)
where:
Base-Base interactions energy: -520.521
where: short stacking energy: -204.172
Base-Backbone interact. energy: -1.399
local terms energy: -218.623131
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -43.016
flat angles C4'-P-C4' energy: -48.603
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -60.132
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: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -722.314439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.314439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.314439 (E_RNA)
where:
Base-Base interactions energy: -493.034
where: short stacking energy: -222.040
Base-Backbone interact. energy: -1.739
local terms energy: -227.541418
where:
bonds (distance) C4'-P energy: -45.719
bonds (distance) P-C4' energy: -43.568
flat angles C4'-P-C4' energy: -47.423
flat angles P-C4'-P energy: -29.554
tors. eta vs tors. theta energy: -61.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -718.311740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.311740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.311740 (E_RNA)
where:
Base-Base interactions energy: -493.187
where: short stacking energy: -214.212
Base-Backbone interact. energy: -1.564
local terms energy: -223.560672
where:
bonds (distance) C4'-P energy: -42.697
bonds (distance) P-C4' energy: -37.629
flat angles C4'-P-C4' energy: -42.266
flat angles P-C4'-P energy: -32.249
tors. eta vs tors. theta energy: -68.721
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: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -693.708230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.708230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.708230 (E_RNA)
where:
Base-Base interactions energy: -473.281
where: short stacking energy: -207.891
Base-Backbone interact. energy: -0.700
local terms energy: -219.726830
where:
bonds (distance) C4'-P energy: -30.196
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -49.792
flat angles P-C4'-P energy: -31.791
tors. eta vs tors. theta energy: -63.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -635.169123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.169123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.169123 (E_RNA)
where:
Base-Base interactions energy: -418.695
where: short stacking energy: -195.596
Base-Backbone interact. energy: -0.318
local terms energy: -216.156096
where:
bonds (distance) C4'-P energy: -41.969
bonds (distance) P-C4' energy: -39.339
flat angles C4'-P-C4' energy: -47.754
flat angles P-C4'-P energy: -31.849
tors. eta vs tors. theta energy: -55.245
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: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -636.103273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.103273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.103273 (E_RNA)
where:
Base-Base interactions energy: -432.295
where: short stacking energy: -185.472
Base-Backbone interact. energy: 2.411
local terms energy: -206.219712
where:
bonds (distance) C4'-P energy: -39.364
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -41.000
flat angles P-C4'-P energy: -34.250
tors. eta vs tors. theta energy: -49.802
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: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -561.926787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.926787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.926787 (E_RNA)
where:
Base-Base interactions energy: -370.968
where: short stacking energy: -169.850
Base-Backbone interact. energy: -0.040
local terms energy: -190.919546
where:
bonds (distance) C4'-P energy: -36.267
bonds (distance) P-C4' energy: -28.367
flat angles C4'-P-C4' energy: -46.918
flat angles P-C4'-P energy: -35.365
tors. eta vs tors. theta energy: -44.004
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: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -450.535913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.535913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.535913 (E_RNA)
where:
Base-Base interactions energy: -281.188
where: short stacking energy: -138.162
Base-Backbone interact. energy: -0.375
local terms energy: -168.972908
where:
bonds (distance) C4'-P energy: -28.293
bonds (distance) P-C4' energy: -44.709
flat angles C4'-P-C4' energy: -39.222
flat angles P-C4'-P energy: -27.455
tors. eta vs tors. theta energy: -29.294
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: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -406.440582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.440582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.440582 (E_RNA)
where:
Base-Base interactions energy: -257.517
where: short stacking energy: -115.695
Base-Backbone interact. energy: -0.840
local terms energy: -148.083565
where:
bonds (distance) C4'-P energy: -33.015
bonds (distance) P-C4' energy: -33.592
flat angles C4'-P-C4' energy: -39.139
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -25.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -201.752569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.752569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.752569 (E_RNA)
where:
Base-Base interactions energy: -80.148
where: short stacking energy: -59.822
Base-Backbone interact. energy: -3.014
local terms energy: -118.590679
where:
bonds (distance) C4'-P energy: -35.427
bonds (distance) P-C4' energy: -32.978
flat angles C4'-P-C4' energy: -28.181
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -6.576
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: 1, replica: 6
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -737.664971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.664971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.664971 (E_RNA)
where:
Base-Base interactions energy: -495.287
where: short stacking energy: -212.780
Base-Backbone interact. energy: -1.506
local terms energy: -240.871920
where:
bonds (distance) C4'-P energy: -49.432
bonds (distance) P-C4' energy: -43.715
flat angles C4'-P-C4' energy: -51.161
flat angles P-C4'-P energy: -31.248
tors. eta vs tors. theta energy: -65.316
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: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -710.920044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.920044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.920044 (E_RNA)
where:
Base-Base interactions energy: -475.099
where: short stacking energy: -208.548
Base-Backbone interact. energy: -0.756
local terms energy: -235.065315
where:
bonds (distance) C4'-P energy: -44.870
bonds (distance) P-C4' energy: -48.495
flat angles C4'-P-C4' energy: -50.032
flat angles P-C4'-P energy: -24.479
tors. eta vs tors. theta energy: -67.189
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: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -701.201570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.201570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.201570 (E_RNA)
where:
Base-Base interactions energy: -484.384
where: short stacking energy: -209.430
Base-Backbone interact. energy: 2.398
local terms energy: -219.215493
where:
bonds (distance) C4'-P energy: -40.223
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -49.981
flat angles P-C4'-P energy: -29.490
tors. eta vs tors. theta energy: -59.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -685.840282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.840282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.840282 (E_RNA)
where:
Base-Base interactions energy: -469.568
where: short stacking energy: -216.640
Base-Backbone interact. energy: -0.172
local terms energy: -216.100706
where:
bonds (distance) C4'-P energy: -38.103
bonds (distance) P-C4' energy: -44.782
flat angles C4'-P-C4' energy: -36.517
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -64.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -615.846765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.846765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.846765 (E_RNA)
where:
Base-Base interactions energy: -407.282
where: short stacking energy: -183.914
Base-Backbone interact. energy: -0.573
local terms energy: -207.991816
where:
bonds (distance) C4'-P energy: -38.523
bonds (distance) P-C4' energy: -49.610
flat angles C4'-P-C4' energy: -42.648
flat angles P-C4'-P energy: -22.633
tors. eta vs tors. theta energy: -54.578
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: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -637.764205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.764205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.764205 (E_RNA)
where:
Base-Base interactions energy: -441.603
where: short stacking energy: -182.426
Base-Backbone interact. energy: 0.089
local terms energy: -196.250749
where:
bonds (distance) C4'-P energy: -35.809
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -45.842
flat angles P-C4'-P energy: -31.142
tors. eta vs tors. theta energy: -46.122
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: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -531.535149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.535149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.535149 (E_RNA)
where:
Base-Base interactions energy: -352.759
where: short stacking energy: -161.283
Base-Backbone interact. energy: -0.483
local terms energy: -178.293799
where:
bonds (distance) C4'-P energy: -30.901
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -36.409
flat angles P-C4'-P energy: -30.305
tors. eta vs tors. theta energy: -39.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -466.348364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.348364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.348364 (E_RNA)
where:
Base-Base interactions energy: -285.880
where: short stacking energy: -123.345
Base-Backbone interact. energy: -1.286
local terms energy: -179.182487
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -35.820
flat angles C4'-P-C4' energy: -48.037
flat angles P-C4'-P energy: -26.664
tors. eta vs tors. theta energy: -37.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -356.737232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.737232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.737232 (E_RNA)
where:
Base-Base interactions energy: -219.761
where: short stacking energy: -86.522
Base-Backbone interact. energy: 8.225
local terms energy: -145.200906
where:
bonds (distance) C4'-P energy: -45.450
bonds (distance) P-C4' energy: -45.522
flat angles C4'-P-C4' energy: -27.424
flat angles P-C4'-P energy: -25.794
tors. eta vs tors. theta energy: -1.011
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: 10, replica: 9
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -212.396908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.396908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.396908 (E_RNA)
where:
Base-Base interactions energy: -96.538
where: short stacking energy: -78.091
Base-Backbone interact. energy: 3.218
local terms energy: -119.077784
where:
bonds (distance) C4'-P energy: -31.562
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -29.360
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -5.202
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: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -762.190971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.190971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.190971 (E_RNA)
where:
Base-Base interactions energy: -520.255
where: short stacking energy: -226.648
Base-Backbone interact. energy: -1.710
local terms energy: -240.225475
where:
bonds (distance) C4'-P energy: -49.003
bonds (distance) P-C4' energy: -45.614
flat angles C4'-P-C4' energy: -46.502
flat angles P-C4'-P energy: -29.281
tors. eta vs tors. theta energy: -69.825
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: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -725.466960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.466960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.466960 (E_RNA)
where:
Base-Base interactions energy: -479.703
where: short stacking energy: -219.334
Base-Backbone interact. energy: -0.301
local terms energy: -245.463035
where:
bonds (distance) C4'-P energy: -43.472
bonds (distance) P-C4' energy: -49.711
flat angles C4'-P-C4' energy: -46.925
flat angles P-C4'-P energy: -37.875
tors. eta vs tors. theta energy: -67.480
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: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -714.662526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.662526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.662526 (E_RNA)
where:
Base-Base interactions energy: -503.567
where: short stacking energy: -219.304
Base-Backbone interact. energy: -0.365
local terms energy: -210.730251
where:
bonds (distance) C4'-P energy: -39.363
bonds (distance) P-C4' energy: -36.175
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -63.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -686.223263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.223263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.223263 (E_RNA)
where:
Base-Base interactions energy: -465.222
where: short stacking energy: -218.390
Base-Backbone interact. energy: -0.282
local terms energy: -220.719705
where:
bonds (distance) C4'-P energy: -34.581
bonds (distance) P-C4' energy: -48.230
flat angles C4'-P-C4' energy: -45.882
flat angles P-C4'-P energy: -33.963
tors. eta vs tors. theta energy: -58.063
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: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -661.276843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.276843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.276843 (E_RNA)
where:
Base-Base interactions energy: -446.885
where: short stacking energy: -205.919
Base-Backbone interact. energy: 1.221
local terms energy: -215.612974
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -40.253
flat angles C4'-P-C4' energy: -50.368
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -59.549
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: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -612.202551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.202551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.202551 (E_RNA)
where:
Base-Base interactions energy: -430.782
where: short stacking energy: -186.624
Base-Backbone interact. energy: 0.738
local terms energy: -182.158361
where:
bonds (distance) C4'-P energy: -33.590
bonds (distance) P-C4' energy: -28.902
flat angles C4'-P-C4' energy: -42.043
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -55.406
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: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -457.529379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.529379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.529379 (E_RNA)
where:
Base-Base interactions energy: -288.960
where: short stacking energy: -130.106
Base-Backbone interact. energy: 2.422
local terms energy: -170.991878
where:
bonds (distance) C4'-P energy: -34.935
bonds (distance) P-C4' energy: -46.583
flat angles C4'-P-C4' energy: -39.213
flat angles P-C4'-P energy: -25.725
tors. eta vs tors. theta energy: -24.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -481.867438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.867438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.867438 (E_RNA)
where:
Base-Base interactions energy: -336.315
where: short stacking energy: -152.181
Base-Backbone interact. energy: -0.425
local terms energy: -145.127428
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -30.136
flat angles C4'-P-C4' energy: -30.686
flat angles P-C4'-P energy: -27.348
tors. eta vs tors. theta energy: -29.224
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: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -395.036286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.036286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.036286 (E_RNA)
where:
Base-Base interactions energy: -256.786
where: short stacking energy: -118.852
Base-Backbone interact. energy: 3.284
local terms energy: -141.534072
where:
bonds (distance) C4'-P energy: -35.243
bonds (distance) P-C4' energy: -36.090
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -14.851
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: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -233.324338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.324338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.324338 (E_RNA)
where:
Base-Base interactions energy: -99.379
where: short stacking energy: -68.646
Base-Backbone interact. energy: 1.082
local terms energy: -135.028168
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -38.633
flat angles C4'-P-C4' energy: -42.073
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -759.616911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.616911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.616911 (E_RNA)
where:
Base-Base interactions energy: -514.548
where: short stacking energy: -215.392
Base-Backbone interact. energy: -1.709
local terms energy: -243.360266
where:
bonds (distance) C4'-P energy: -43.600
bonds (distance) P-C4' energy: -50.598
flat angles C4'-P-C4' energy: -46.022
flat angles P-C4'-P energy: -34.529
tors. eta vs tors. theta energy: -68.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -731.113858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.113858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.113858 (E_RNA)
where:
Base-Base interactions energy: -504.606
where: short stacking energy: -223.265
Base-Backbone interact. energy: -0.786
local terms energy: -225.721127
where:
bonds (distance) C4'-P energy: -37.351
bonds (distance) P-C4' energy: -47.109
flat angles C4'-P-C4' energy: -49.931
flat angles P-C4'-P energy: -29.028
tors. eta vs tors. theta energy: -62.302
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: 3, replica: 3
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -712.407140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.407140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.407140 (E_RNA)
where:
Base-Base interactions energy: -490.097
where: short stacking energy: -223.860
Base-Backbone interact. energy: 1.607
local terms energy: -223.917881
where:
bonds (distance) C4'-P energy: -40.250
bonds (distance) P-C4' energy: -44.262
flat angles C4'-P-C4' energy: -50.399
flat angles P-C4'-P energy: -30.638
tors. eta vs tors. theta energy: -58.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -676.320441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.320441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.320441 (E_RNA)
where:
Base-Base interactions energy: -454.997
where: short stacking energy: -182.412
Base-Backbone interact. energy: -1.997
local terms energy: -219.326198
where:
bonds (distance) C4'-P energy: -43.531
bonds (distance) P-C4' energy: -45.151
flat angles C4'-P-C4' energy: -46.791
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -48.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -667.476672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.476672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.476672 (E_RNA)
where:
Base-Base interactions energy: -454.857
where: short stacking energy: -201.329
Base-Backbone interact. energy: -2.416
local terms energy: -210.203423
where:
bonds (distance) C4'-P energy: -44.830
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -45.800
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: -56.110
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: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -614.438681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.438681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.438681 (E_RNA)
where:
Base-Base interactions energy: -413.554
where: short stacking energy: -178.282
Base-Backbone interact. energy: -1.620
local terms energy: -199.264495
where:
bonds (distance) C4'-P energy: -40.853
bonds (distance) P-C4' energy: -42.602
flat angles C4'-P-C4' energy: -41.284
flat angles P-C4'-P energy: -30.110
tors. eta vs tors. theta energy: -44.416
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: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -491.029593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.029593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.029593 (E_RNA)
where:
Base-Base interactions energy: -291.412
where: short stacking energy: -152.882
Base-Backbone interact. energy: 0.612
local terms energy: -200.229120
where:
bonds (distance) C4'-P energy: -41.856
bonds (distance) P-C4' energy: -42.682
flat angles C4'-P-C4' energy: -40.947
flat angles P-C4'-P energy: -31.211
tors. eta vs tors. theta energy: -43.533
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: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -481.411794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.411794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.411794 (E_RNA)
where:
Base-Base interactions energy: -318.964
where: short stacking energy: -148.617
Base-Backbone interact. energy: -0.770
local terms energy: -161.677906
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -37.253
flat angles C4'-P-C4' energy: -36.556
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -30.294
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: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -358.404216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.404216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.404216 (E_RNA)
where:
Base-Base interactions energy: -204.830
where: short stacking energy: -103.352
Base-Backbone interact. energy: -2.115
local terms energy: -151.458940
where:
bonds (distance) C4'-P energy: -40.826
bonds (distance) P-C4' energy: -37.424
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -215.661293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.661293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.661293 (E_RNA)
where:
Base-Base interactions energy: -88.123
where: short stacking energy: -45.068
Base-Backbone interact. energy: -2.142
local terms energy: -125.395806
where:
bonds (distance) C4'-P energy: -39.137
bonds (distance) P-C4' energy: -41.775
flat angles C4'-P-C4' energy: -26.858
flat angles P-C4'-P energy: -20.859
tors. eta vs tors. theta energy: 3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -736.490934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.490934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.490934 (E_RNA)
where:
Base-Base interactions energy: -491.393
where: short stacking energy: -207.465
Base-Backbone interact. energy: -1.010
local terms energy: -244.087939
where:
bonds (distance) C4'-P energy: -42.979
bonds (distance) P-C4' energy: -50.721
flat angles C4'-P-C4' energy: -50.135
flat angles P-C4'-P energy: -36.364
tors. eta vs tors. theta energy: -63.890
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -734.395202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.395202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.395202 (E_RNA)
where:
Base-Base interactions energy: -496.598
where: short stacking energy: -218.840
Base-Backbone interact. energy: -0.970
local terms energy: -236.827379
where:
bonds (distance) C4'-P energy: -46.649
bonds (distance) P-C4' energy: -49.318
flat angles C4'-P-C4' energy: -51.820
flat angles P-C4'-P energy: -25.150
tors. eta vs tors. theta energy: -63.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -713.188863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.188863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.188863 (E_RNA)
where:
Base-Base interactions energy: -486.808
where: short stacking energy: -206.404
Base-Backbone interact. energy: -2.378
local terms energy: -224.003048
where:
bonds (distance) C4'-P energy: -41.593
bonds (distance) P-C4' energy: -47.937
flat angles C4'-P-C4' energy: -44.859
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: -57.119
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: 4, replica: 5
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -665.775709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.775709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.775709 (E_RNA)
where:
Base-Base interactions energy: -456.628
where: short stacking energy: -199.007
Base-Backbone interact. energy: -0.687
local terms energy: -208.460088
where:
bonds (distance) C4'-P energy: -32.818
bonds (distance) P-C4' energy: -45.254
flat angles C4'-P-C4' energy: -46.704
flat angles P-C4'-P energy: -32.595
tors. eta vs tors. theta energy: -51.089
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: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -640.600703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.600703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.600703 (E_RNA)
where:
Base-Base interactions energy: -430.875
where: short stacking energy: -167.585
Base-Backbone interact. energy: -1.769
local terms energy: -207.956022
where:
bonds (distance) C4'-P energy: -43.148
bonds (distance) P-C4' energy: -36.205
flat angles C4'-P-C4' energy: -49.455
flat angles P-C4'-P energy: -34.811
tors. eta vs tors. theta energy: -44.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -617.660728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.660728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.660728 (E_RNA)
where:
Base-Base interactions energy: -405.645
where: short stacking energy: -182.651
Base-Backbone interact. energy: -0.823
local terms energy: -211.192939
where:
bonds (distance) C4'-P energy: -43.029
bonds (distance) P-C4' energy: -42.162
flat angles C4'-P-C4' energy: -44.056
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -50.784
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: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -504.974387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.974387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.974387 (E_RNA)
where:
Base-Base interactions energy: -339.276
where: short stacking energy: -152.619
Base-Backbone interact. energy: -0.823
local terms energy: -164.875039
where:
bonds (distance) C4'-P energy: -33.496
bonds (distance) P-C4' energy: -33.848
flat angles C4'-P-C4' energy: -34.598
flat angles P-C4'-P energy: -29.603
tors. eta vs tors. theta energy: -33.330
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: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -417.985042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.985042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.985042 (E_RNA)
where:
Base-Base interactions energy: -268.367
where: short stacking energy: -127.281
Base-Backbone interact. energy: -0.923
local terms energy: -148.695642
where:
bonds (distance) C4'-P energy: -32.920
bonds (distance) P-C4' energy: -35.809
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -26.388
tors. eta vs tors. theta energy: -18.660
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: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -389.228768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.228768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.228768 (E_RNA)
where:
Base-Base interactions energy: -240.434
where: short stacking energy: -106.145
Base-Backbone interact. energy: -0.434
local terms energy: -148.360677
where:
bonds (distance) C4'-P energy: -37.241
bonds (distance) P-C4' energy: -43.050
flat angles C4'-P-C4' energy: -36.012
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -18.236
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: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -209.892852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.892852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.892852 (E_RNA)
where:
Base-Base interactions energy: -95.634
where: short stacking energy: -55.874
Base-Backbone interact. energy: 4.532
local terms energy: -118.790440
where:
bonds (distance) C4'-P energy: -40.745
bonds (distance) P-C4' energy: -40.191
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: 7.872
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: 1, replica: 6
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -748.649922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.649922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.649922 (E_RNA)
where:
Base-Base interactions energy: -515.414
where: short stacking energy: -200.555
Base-Backbone interact. energy: -2.161
local terms energy: -231.075169
where:
bonds (distance) C4'-P energy: -41.792
bonds (distance) P-C4' energy: -47.815
flat angles C4'-P-C4' energy: -48.923
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -59.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -715.367222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.367222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.367222 (E_RNA)
where:
Base-Base interactions energy: -499.400
where: short stacking energy: -209.637
Base-Backbone interact. energy: -0.821
local terms energy: -215.146051
where:
bonds (distance) C4'-P energy: -43.176
bonds (distance) P-C4' energy: -39.554
flat angles C4'-P-C4' energy: -43.257
flat angles P-C4'-P energy: -33.002
tors. eta vs tors. theta energy: -56.158
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -703.981299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.981299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.981299 (E_RNA)
where:
Base-Base interactions energy: -474.670
where: short stacking energy: -212.911
Base-Backbone interact. energy: -0.533
local terms energy: -228.778144
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -38.668
flat angles C4'-P-C4' energy: -46.662
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -66.797
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: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -670.093074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.093074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.093074 (E_RNA)
where:
Base-Base interactions energy: -474.400
where: short stacking energy: -212.941
Base-Backbone interact. energy: -0.860
local terms energy: -194.833439
where:
bonds (distance) C4'-P energy: -31.904
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -50.000
flat angles P-C4'-P energy: -26.712
tors. eta vs tors. theta energy: -53.383
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: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -639.157585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.157585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.157585 (E_RNA)
where:
Base-Base interactions energy: -442.189
where: short stacking energy: -181.427
Base-Backbone interact. energy: -0.208
local terms energy: -196.761112
where:
bonds (distance) C4'-P energy: -42.548
bonds (distance) P-C4' energy: -44.926
flat angles C4'-P-C4' energy: -45.700
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -46.892
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: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -621.484241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.484241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.484241 (E_RNA)
where:
Base-Base interactions energy: -414.824
where: short stacking energy: -180.153
Base-Backbone interact. energy: -0.466
local terms energy: -206.194621
where:
bonds (distance) C4'-P energy: -32.475
bonds (distance) P-C4' energy: -45.267
flat angles C4'-P-C4' energy: -46.335
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -51.287
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: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -520.321512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.321512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.321512 (E_RNA)
where:
Base-Base interactions energy: -343.554
where: short stacking energy: -157.397
Base-Backbone interact. energy: -0.981
local terms energy: -175.786649
where:
bonds (distance) C4'-P energy: -29.782
bonds (distance) P-C4' energy: -41.441
flat angles C4'-P-C4' energy: -39.847
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -42.258
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: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -402.426078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.426078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.426078 (E_RNA)
where:
Base-Base interactions energy: -266.479
where: short stacking energy: -131.016
Base-Backbone interact. energy: 0.041
local terms energy: -135.988286
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -40.488
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -27.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -388.885694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.885694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.885694 (E_RNA)
where:
Base-Base interactions energy: -241.855
where: short stacking energy: -103.645
Base-Backbone interact. energy: -1.124
local terms energy: -145.905943
where:
bonds (distance) C4'-P energy: -30.530
bonds (distance) P-C4' energy: -37.658
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -26.917
tors. eta vs tors. theta energy: -20.851
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: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -196.401503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.401503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.401503 (E_RNA)
where:
Base-Base interactions energy: -83.568
where: short stacking energy: -70.237
Base-Backbone interact. energy: 2.217
local terms energy: -115.049703
where:
bonds (distance) C4'-P energy: -28.133
bonds (distance) P-C4' energy: -30.031
flat angles C4'-P-C4' energy: -24.298
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -753.835658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.835658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.835658 (E_RNA)
where:
Base-Base interactions energy: -531.112
where: short stacking energy: -219.605
Base-Backbone interact. energy: -1.182
local terms energy: -221.541435
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -43.577
flat angles C4'-P-C4' energy: -41.765
flat angles P-C4'-P energy: -34.503
tors. eta vs tors. theta energy: -60.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -726.494842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.494842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.494842 (E_RNA)
where:
Base-Base interactions energy: -498.306
where: short stacking energy: -210.542
Base-Backbone interact. energy: 2.262
local terms energy: -230.451032
where:
bonds (distance) C4'-P energy: -40.846
bonds (distance) P-C4' energy: -43.931
flat angles C4'-P-C4' energy: -50.417
flat angles P-C4'-P energy: -32.368
tors. eta vs tors. theta energy: -62.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -683.445002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.445002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.445002 (E_RNA)
where:
Base-Base interactions energy: -466.136
where: short stacking energy: -197.253
Base-Backbone interact. energy: -1.374
local terms energy: -215.934555
where:
bonds (distance) C4'-P energy: -43.464
bonds (distance) P-C4' energy: -35.548
flat angles C4'-P-C4' energy: -50.676
flat angles P-C4'-P energy: -28.109
tors. eta vs tors. theta energy: -58.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -666.026486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.026486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.026486 (E_RNA)
where:
Base-Base interactions energy: -444.283
where: short stacking energy: -181.004
Base-Backbone interact. energy: -0.647
local terms energy: -221.096226
where:
bonds (distance) C4'-P energy: -44.585
bonds (distance) P-C4' energy: -39.259
flat angles C4'-P-C4' energy: -50.204
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -53.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -628.636122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.636122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.636122 (E_RNA)
where:
Base-Base interactions energy: -438.897
where: short stacking energy: -183.462
Base-Backbone interact. energy: -0.434
local terms energy: -189.305777
where:
bonds (distance) C4'-P energy: -38.084
bonds (distance) P-C4' energy: -41.815
flat angles C4'-P-C4' energy: -41.007
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -47.301
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: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -620.165554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.165554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.165554 (E_RNA)
where:
Base-Base interactions energy: -416.267
where: short stacking energy: -193.409
Base-Backbone interact. energy: 0.828
local terms energy: -204.725861
where:
bonds (distance) C4'-P energy: -31.082
bonds (distance) P-C4' energy: -43.208
flat angles C4'-P-C4' energy: -44.234
flat angles P-C4'-P energy: -29.589
tors. eta vs tors. theta energy: -56.612
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: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -543.572098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.572098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.572098 (E_RNA)
where:
Base-Base interactions energy: -367.167
where: short stacking energy: -171.388
Base-Backbone interact. energy: -0.222
local terms energy: -176.182638
where:
bonds (distance) C4'-P energy: -31.579
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -41.712
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -42.622
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: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -386.876933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.876933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.876933 (E_RNA)
where:
Base-Base interactions energy: -226.243
where: short stacking energy: -117.007
Base-Backbone interact. energy: -0.413
local terms energy: -160.221054
where:
bonds (distance) C4'-P energy: -37.078
bonds (distance) P-C4' energy: -33.359
flat angles C4'-P-C4' energy: -40.594
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: -26.628
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: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -375.127419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.127419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.127419 (E_RNA)
where:
Base-Base interactions energy: -240.278
where: short stacking energy: -103.281
Base-Backbone interact. energy: -0.912
local terms energy: -133.937224
where:
bonds (distance) C4'-P energy: -35.216
bonds (distance) P-C4' energy: -34.328
flat angles C4'-P-C4' energy: -31.332
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -10.709
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: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -207.898061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.898061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.898061 (E_RNA)
where:
Base-Base interactions energy: -70.124
where: short stacking energy: -42.691
Base-Backbone interact. energy: -0.097
local terms energy: -137.677256
where:
bonds (distance) C4'-P energy: -43.130
bonds (distance) P-C4' energy: -39.448
flat angles C4'-P-C4' energy: -29.678
flat angles P-C4'-P energy: -20.264
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -760.043421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.043421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.043421 (E_RNA)
where:
Base-Base interactions energy: -522.612
where: short stacking energy: -216.406
Base-Backbone interact. energy: -0.933
local terms energy: -236.497990
where:
bonds (distance) C4'-P energy: -53.708
bonds (distance) P-C4' energy: -44.448
flat angles C4'-P-C4' energy: -47.089
flat angles P-C4'-P energy: -26.351
tors. eta vs tors. theta energy: -64.902
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: 147
Temperature: 0.950000
Total energy: -723.507522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.507522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.507522 (E_RNA)
where:
Base-Base interactions energy: -500.852
where: short stacking energy: -213.805
Base-Backbone interact. energy: 5.625
local terms energy: -228.280588
where:
bonds (distance) C4'-P energy: -45.290
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -48.092
flat angles P-C4'-P energy: -32.603
tors. eta vs tors. theta energy: -59.436
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: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -704.404591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.404591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.404591 (E_RNA)
where:
Base-Base interactions energy: -483.748
where: short stacking energy: -212.232
Base-Backbone interact. energy: 0.617
local terms energy: -221.273906
where:
bonds (distance) C4'-P energy: -42.120
bonds (distance) P-C4' energy: -45.542
flat angles C4'-P-C4' energy: -45.800
flat angles P-C4'-P energy: -28.531
tors. eta vs tors. theta energy: -59.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -692.934073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.934073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.934073 (E_RNA)
where:
Base-Base interactions energy: -476.910
where: short stacking energy: -205.515
Base-Backbone interact. energy: -1.558
local terms energy: -214.466317
where:
bonds (distance) C4'-P energy: -39.190
bonds (distance) P-C4' energy: -45.106
flat angles C4'-P-C4' energy: -48.509
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -57.091
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: 5, replica: 5
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -612.851735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.851735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.851735 (E_RNA)
where:
Base-Base interactions energy: -424.916
where: short stacking energy: -191.328
Base-Backbone interact. energy: -0.136
local terms energy: -187.799863
where:
bonds (distance) C4'-P energy: -43.993
bonds (distance) P-C4' energy: -40.045
flat angles C4'-P-C4' energy: -32.183
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -50.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -603.594515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.594515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.594515 (E_RNA)
where:
Base-Base interactions energy: -399.047
where: short stacking energy: -195.549
Base-Backbone interact. energy: -0.032
local terms energy: -204.515900
where:
bonds (distance) C4'-P energy: -38.142
bonds (distance) P-C4' energy: -40.925
flat angles C4'-P-C4' energy: -45.098
flat angles P-C4'-P energy: -23.237
tors. eta vs tors. theta energy: -57.114
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: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -525.925989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.925989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.925989 (E_RNA)
where:
Base-Base interactions energy: -339.181
where: short stacking energy: -160.961
Base-Backbone interact. energy: -0.204
local terms energy: -186.541138
where:
bonds (distance) C4'-P energy: -39.603
bonds (distance) P-C4' energy: -38.451
flat angles C4'-P-C4' energy: -39.516
flat angles P-C4'-P energy: -33.442
tors. eta vs tors. theta energy: -35.529
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: 8
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -399.504007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.504007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.504007 (E_RNA)
where:
Base-Base interactions energy: -237.805
where: short stacking energy: -111.817
Base-Backbone interact. energy: -1.742
local terms energy: -159.956258
where:
bonds (distance) C4'-P energy: -41.394
bonds (distance) P-C4' energy: -32.507
flat angles C4'-P-C4' energy: -36.297
flat angles P-C4'-P energy: -25.848
tors. eta vs tors. theta energy: -23.909
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: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -364.438160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.438160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.438160 (E_RNA)
where:
Base-Base interactions energy: -221.995
where: short stacking energy: -120.540
Base-Backbone interact. energy: -0.620
local terms energy: -141.823804
where:
bonds (distance) C4'-P energy: -34.558
bonds (distance) P-C4' energy: -36.445
flat angles C4'-P-C4' energy: -28.847
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -25.003
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: 147
Temperature: 1.350000
Total energy: -203.277066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.277066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.277066 (E_RNA)
where:
Base-Base interactions energy: -80.549
where: short stacking energy: -52.162
Base-Backbone interact. energy: 3.575
local terms energy: -126.302938
where:
bonds (distance) C4'-P energy: -35.505
bonds (distance) P-C4' energy: -37.257
flat angles C4'-P-C4' energy: -29.095
flat angles P-C4'-P energy: -26.762
tors. eta vs tors. theta energy: 2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -764.798535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.798535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.798535 (E_RNA)
where:
Base-Base interactions energy: -529.096
where: short stacking energy: -209.016
Base-Backbone interact. energy: -1.846
local terms energy: -233.856063
where:
bonds (distance) C4'-P energy: -42.442
bonds (distance) P-C4' energy: -44.887
flat angles C4'-P-C4' energy: -49.462
flat angles P-C4'-P energy: -33.884
tors. eta vs tors. theta energy: -63.182
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: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -723.037005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.037005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.037005 (E_RNA)
where:
Base-Base interactions energy: -507.145
where: short stacking energy: -218.173
Base-Backbone interact. energy: 5.051
local terms energy: -220.942150
where:
bonds (distance) C4'-P energy: -39.701
bonds (distance) P-C4' energy: -41.600
flat angles C4'-P-C4' energy: -44.547
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -64.999
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: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -714.685809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.685809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.685809 (E_RNA)
where:
Base-Base interactions energy: -488.970
where: short stacking energy: -213.437
Base-Backbone interact. energy: -0.673
local terms energy: -225.042639
where:
bonds (distance) C4'-P energy: -40.275
bonds (distance) P-C4' energy: -38.596
flat angles C4'-P-C4' energy: -49.576
flat angles P-C4'-P energy: -34.747
tors. eta vs tors. theta energy: -61.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -677.619180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.619180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.619180 (E_RNA)
where:
Base-Base interactions energy: -482.161
where: short stacking energy: -210.022
Base-Backbone interact. energy: -1.251
local terms energy: -194.206899
where:
bonds (distance) C4'-P energy: -26.664
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -48.305
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -55.816
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: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -635.450133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.450133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.450133 (E_RNA)
where:
Base-Base interactions energy: -422.875
where: short stacking energy: -208.964
Base-Backbone interact. energy: 0.021
local terms energy: -212.595976
where:
bonds (distance) C4'-P energy: -44.450
bonds (distance) P-C4' energy: -37.294
flat angles C4'-P-C4' energy: -48.752
flat angles P-C4'-P energy: -25.735
tors. eta vs tors. theta energy: -56.365
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: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -605.983470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.983470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.983470 (E_RNA)
where:
Base-Base interactions energy: -414.111
where: short stacking energy: -179.413
Base-Backbone interact. energy: 1.872
local terms energy: -193.745093
where:
bonds (distance) C4'-P energy: -34.619
bonds (distance) P-C4' energy: -44.724
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -35.722
tors. eta vs tors. theta energy: -44.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -527.514812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.514812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.514812 (E_RNA)
where:
Base-Base interactions energy: -343.374
where: short stacking energy: -160.744
Base-Backbone interact. energy: -0.472
local terms energy: -183.669205
where:
bonds (distance) C4'-P energy: -40.220
bonds (distance) P-C4' energy: -38.420
flat angles C4'-P-C4' energy: -40.686
flat angles P-C4'-P energy: -27.947
tors. eta vs tors. theta energy: -36.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -378.329959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.329959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.329959 (E_RNA)
where:
Base-Base interactions energy: -218.379
where: short stacking energy: -118.067
Base-Backbone interact. energy: -0.501
local terms energy: -159.449534
where:
bonds (distance) C4'-P energy: -23.357
bonds (distance) P-C4' energy: -40.722
flat angles C4'-P-C4' energy: -48.488
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -25.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -391.668810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.668810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.668810 (E_RNA)
where:
Base-Base interactions energy: -233.330
where: short stacking energy: -108.700
Base-Backbone interact. energy: -1.157
local terms energy: -157.181992
where:
bonds (distance) C4'-P energy: -30.240
bonds (distance) P-C4' energy: -37.835
flat angles C4'-P-C4' energy: -45.134
flat angles P-C4'-P energy: -23.957
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -199.871273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.871273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.871273 (E_RNA)
where:
Base-Base interactions energy: -65.788
where: short stacking energy: -64.718
Base-Backbone interact. energy: 0.677
local terms energy: -134.760245
where:
bonds (distance) C4'-P energy: -44.764
bonds (distance) P-C4' energy: -36.402
flat angles C4'-P-C4' energy: -34.847
flat angles P-C4'-P energy: -15.978
tors. eta vs tors. theta energy: -2.769
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: 1, replica: 6
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -758.178259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.178259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.178259 (E_RNA)
where:
Base-Base interactions energy: -532.923
where: short stacking energy: -206.593
Base-Backbone interact. energy: -1.658
local terms energy: -223.597479
where:
bonds (distance) C4'-P energy: -43.792
bonds (distance) P-C4' energy: -45.967
flat angles C4'-P-C4' energy: -43.043
flat angles P-C4'-P energy: -28.822
tors. eta vs tors. theta energy: -61.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -735.380136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.380136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.380136 (E_RNA)
where:
Base-Base interactions energy: -510.745
where: short stacking energy: -218.562
Base-Backbone interact. energy: -0.002
local terms energy: -224.633095
where:
bonds (distance) C4'-P energy: -47.730
bonds (distance) P-C4' energy: -39.343
flat angles C4'-P-C4' energy: -45.983
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: -59.563
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: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -699.011656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.011656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.011656 (E_RNA)
where:
Base-Base interactions energy: -482.255
where: short stacking energy: -206.125
Base-Backbone interact. energy: 5.393
local terms energy: -222.149728
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -45.379
flat angles P-C4'-P energy: -36.214
tors. eta vs tors. theta energy: -57.494
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: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -684.809335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.809335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.809335 (E_RNA)
where:
Base-Base interactions energy: -470.151
where: short stacking energy: -204.655
Base-Backbone interact. energy: -1.214
local terms energy: -213.444698
where:
bonds (distance) C4'-P energy: -33.750
bonds (distance) P-C4' energy: -43.391
flat angles C4'-P-C4' energy: -44.655
flat angles P-C4'-P energy: -30.156
tors. eta vs tors. theta energy: -61.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -589.269266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.269266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.269266 (E_RNA)
where:
Base-Base interactions energy: -376.203
where: short stacking energy: -164.103
Base-Backbone interact. energy: -0.927
local terms energy: -212.139312
where:
bonds (distance) C4'-P energy: -37.294
bonds (distance) P-C4' energy: -44.924
flat angles C4'-P-C4' energy: -48.978
flat angles P-C4'-P energy: -32.177
tors. eta vs tors. theta energy: -48.767
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: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -619.159453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.159453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.159453 (E_RNA)
where:
Base-Base interactions energy: -431.434
where: short stacking energy: -179.968
Base-Backbone interact. energy: 0.379
local terms energy: -188.104597
where:
bonds (distance) C4'-P energy: -32.822
bonds (distance) P-C4' energy: -28.820
flat angles C4'-P-C4' energy: -45.279
flat angles P-C4'-P energy: -32.260
tors. eta vs tors. theta energy: -48.923
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: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -521.560549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.560549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.560549 (E_RNA)
where:
Base-Base interactions energy: -324.795
where: short stacking energy: -150.530
Base-Backbone interact. energy: -0.289
local terms energy: -196.475685
where:
bonds (distance) C4'-P energy: -36.942
bonds (distance) P-C4' energy: -37.172
flat angles C4'-P-C4' energy: -46.571
flat angles P-C4'-P energy: -36.009
tors. eta vs tors. theta energy: -39.781
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: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -393.515742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.515742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.515742 (E_RNA)
where:
Base-Base interactions energy: -236.768
where: short stacking energy: -129.594
Base-Backbone interact. energy: 0.986
local terms energy: -157.733845
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -36.648
flat angles C4'-P-C4' energy: -45.172
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: -23.580
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: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -333.003796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.003796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.003796 (E_RNA)
where:
Base-Base interactions energy: -196.217
where: short stacking energy: -90.986
Base-Backbone interact. energy: 2.308
local terms energy: -139.094765
where:
bonds (distance) C4'-P energy: -42.902
bonds (distance) P-C4' energy: -37.226
flat angles C4'-P-C4' energy: -34.845
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -6.891
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: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -239.334062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.334062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.334062 (E_RNA)
where:
Base-Base interactions energy: -109.786
where: short stacking energy: -74.531
Base-Backbone interact. energy: 0.703
local terms energy: -130.251454
where:
bonds (distance) C4'-P energy: -36.233
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -28.196
tors. eta vs tors. theta energy: 4.713
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: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -748.002647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.002647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.002647 (E_RNA)
where:
Base-Base interactions energy: -518.003
where: short stacking energy: -222.414
Base-Backbone interact. energy: -0.365
local terms energy: -229.634519
where:
bonds (distance) C4'-P energy: -40.238
bonds (distance) P-C4' energy: -43.464
flat angles C4'-P-C4' energy: -48.036
flat angles P-C4'-P energy: -34.285
tors. eta vs tors. theta energy: -63.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -749.311755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.311755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.311755 (E_RNA)
where:
Base-Base interactions energy: -532.081
where: short stacking energy: -215.591
Base-Backbone interact. energy: -1.164
local terms energy: -216.067055
where:
bonds (distance) C4'-P energy: -42.241
bonds (distance) P-C4' energy: -38.042
flat angles C4'-P-C4' energy: -45.159
flat angles P-C4'-P energy: -29.500
tors. eta vs tors. theta energy: -61.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -709.143496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.143496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.143496 (E_RNA)
where:
Base-Base interactions energy: -494.739
where: short stacking energy: -200.712
Base-Backbone interact. energy: 0.792
local terms energy: -215.196497
where:
bonds (distance) C4'-P energy: -45.705
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -48.376
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -55.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -693.276518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.276518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.276518 (E_RNA)
where:
Base-Base interactions energy: -465.870
where: short stacking energy: -207.955
Base-Backbone interact. energy: -0.755
local terms energy: -226.652080
where:
bonds (distance) C4'-P energy: -39.669
bonds (distance) P-C4' energy: -43.645
flat angles C4'-P-C4' energy: -44.958
flat angles P-C4'-P energy: -31.412
tors. eta vs tors. theta energy: -66.968
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: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -649.234060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.234060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.234060 (E_RNA)
where:
Base-Base interactions energy: -448.250
where: short stacking energy: -178.517
Base-Backbone interact. energy: 2.072
local terms energy: -203.055898
where:
bonds (distance) C4'-P energy: -42.355
bonds (distance) P-C4' energy: -39.990
flat angles C4'-P-C4' energy: -45.398
flat angles P-C4'-P energy: -27.059
tors. eta vs tors. theta energy: -48.255
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: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -584.975073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.975073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.975073 (E_RNA)
where:
Base-Base interactions energy: -388.793
where: short stacking energy: -179.012
Base-Backbone interact. energy: -0.729
local terms energy: -195.453448
where:
bonds (distance) C4'-P energy: -41.925
bonds (distance) P-C4' energy: -36.151
flat angles C4'-P-C4' energy: -38.941
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: -50.859
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: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -502.607432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.607432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.607432 (E_RNA)
where:
Base-Base interactions energy: -322.391
where: short stacking energy: -159.172
Base-Backbone interact. energy: -1.042
local terms energy: -179.174997
where:
bonds (distance) C4'-P energy: -33.912
bonds (distance) P-C4' energy: -43.993
flat angles C4'-P-C4' energy: -42.099
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -35.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -419.779504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.779504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.779504 (E_RNA)
where:
Base-Base interactions energy: -285.358
where: short stacking energy: -123.017
Base-Backbone interact. energy: -0.526
local terms energy: -133.895203
where:
bonds (distance) C4'-P energy: -30.229
bonds (distance) P-C4' energy: -35.284
flat angles C4'-P-C4' energy: -37.205
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -20.943
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: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -325.813066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.813066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.813066 (E_RNA)
where:
Base-Base interactions energy: -181.693
where: short stacking energy: -81.385
Base-Backbone interact. energy: 1.811
local terms energy: -145.930536
where:
bonds (distance) C4'-P energy: -46.766
bonds (distance) P-C4' energy: -37.917
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -22.304
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -194.989050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.989050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.989050 (E_RNA)
where:
Base-Base interactions energy: -72.464
where: short stacking energy: -53.138
Base-Backbone interact. energy: 2.070
local terms energy: -124.595415
where:
bonds (distance) C4'-P energy: -36.517
bonds (distance) P-C4' energy: -34.933
flat angles C4'-P-C4' energy: -40.872
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: 2.481
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: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -746.157751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.157751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.157751 (E_RNA)
where:
Base-Base interactions energy: -518.892
where: short stacking energy: -219.788
Base-Backbone interact. energy: -0.348
local terms energy: -226.918059
where:
bonds (distance) C4'-P energy: -42.585
bonds (distance) P-C4' energy: -44.552
flat angles C4'-P-C4' energy: -46.524
flat angles P-C4'-P energy: -34.723
tors. eta vs tors. theta energy: -58.534
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: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -734.763514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.763514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.763514 (E_RNA)
where:
Base-Base interactions energy: -509.908
where: short stacking energy: -210.796
Base-Backbone interact. energy: -0.611
local terms energy: -224.244262
where:
bonds (distance) C4'-P energy: -43.302
bonds (distance) P-C4' energy: -46.316
flat angles C4'-P-C4' energy: -51.277
flat angles P-C4'-P energy: -21.535
tors. eta vs tors. theta energy: -61.814
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: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -677.346151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.346151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.346151 (E_RNA)
where:
Base-Base interactions energy: -462.441
where: short stacking energy: -205.110
Base-Backbone interact. energy: -1.273
local terms energy: -213.632174
where:
bonds (distance) C4'-P energy: -43.577
bonds (distance) P-C4' energy: -41.771
flat angles C4'-P-C4' energy: -43.056
flat angles P-C4'-P energy: -33.621
tors. eta vs tors. theta energy: -51.608
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: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -681.471628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.471628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.471628 (E_RNA)
where:
Base-Base interactions energy: -464.123
where: short stacking energy: -201.176
Base-Backbone interact. energy: -2.364
local terms energy: -214.984848
where:
bonds (distance) C4'-P energy: -35.065
bonds (distance) P-C4' energy: -35.456
flat angles C4'-P-C4' energy: -49.283
flat angles P-C4'-P energy: -39.577
tors. eta vs tors. theta energy: -55.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -640.851370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.851370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.851370 (E_RNA)
where:
Base-Base interactions energy: -428.457
where: short stacking energy: -186.751
Base-Backbone interact. energy: -1.819
local terms energy: -210.575378
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -45.490
flat angles P-C4'-P energy: -33.027
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: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -590.035721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.035721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.035721 (E_RNA)
where:
Base-Base interactions energy: -393.232
where: short stacking energy: -178.991
Base-Backbone interact. energy: -0.044
local terms energy: -196.759348
where:
bonds (distance) C4'-P energy: -32.714
bonds (distance) P-C4' energy: -39.884
flat angles C4'-P-C4' energy: -46.167
flat angles P-C4'-P energy: -28.204
tors. eta vs tors. theta energy: -49.790
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: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -529.141168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.141168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.141168 (E_RNA)
where:
Base-Base interactions energy: -347.223
where: short stacking energy: -162.552
Base-Backbone interact. energy: -0.179
local terms energy: -181.739128
where:
bonds (distance) C4'-P energy: -28.009
bonds (distance) P-C4' energy: -37.187
flat angles C4'-P-C4' energy: -44.406
flat angles P-C4'-P energy: -27.833
tors. eta vs tors. theta energy: -44.304
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: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -367.033324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.033324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.033324 (E_RNA)
where:
Base-Base interactions energy: -220.610
where: short stacking energy: -98.004
Base-Backbone interact. energy: 0.334
local terms energy: -146.757614
where:
bonds (distance) C4'-P energy: -27.733
bonds (distance) P-C4' energy: -42.753
flat angles C4'-P-C4' energy: -40.596
flat angles P-C4'-P energy: -22.149
tors. eta vs tors. theta energy: -13.528
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: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -361.299344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.299344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.299344 (E_RNA)
where:
Base-Base interactions energy: -208.788
where: short stacking energy: -98.972
Base-Backbone interact. energy: -0.266
local terms energy: -152.245149
where:
bonds (distance) C4'-P energy: -38.556
bonds (distance) P-C4' energy: -43.125
flat angles C4'-P-C4' energy: -35.688
flat angles P-C4'-P energy: -23.045
tors. eta vs tors. theta energy: -11.832
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: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -198.419962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.419962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.419962 (E_RNA)
where:
Base-Base interactions energy: -67.859
where: short stacking energy: -42.630
Base-Backbone interact. energy: -0.630
local terms energy: -129.931403
where:
bonds (distance) C4'-P energy: -34.139
bonds (distance) P-C4' energy: -33.666
flat angles C4'-P-C4' energy: -36.293
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -2.956
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: 1, replica: 6
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -749.537571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.537571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.537571 (E_RNA)
where:
Base-Base interactions energy: -518.303
where: short stacking energy: -220.450
Base-Backbone interact. energy: -0.780
local terms energy: -230.455247
where:
bonds (distance) C4'-P energy: -43.128
bonds (distance) P-C4' energy: -47.155
flat angles C4'-P-C4' energy: -43.209
flat angles P-C4'-P energy: -34.009
tors. eta vs tors. theta energy: -62.954
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: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -712.199378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.199378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.199378 (E_RNA)
where:
Base-Base interactions energy: -486.764
where: short stacking energy: -215.948
Base-Backbone interact. energy: -0.773
local terms energy: -224.661861
where:
bonds (distance) C4'-P energy: -50.486
bonds (distance) P-C4' energy: -42.129
flat angles C4'-P-C4' energy: -46.116
flat angles P-C4'-P energy: -35.154
tors. eta vs tors. theta energy: -50.778
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: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -691.397486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.397486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.397486 (E_RNA)
where:
Base-Base interactions energy: -457.391
where: short stacking energy: -205.543
Base-Backbone interact. energy: 0.561
local terms energy: -234.567485
where:
bonds (distance) C4'-P energy: -43.356
bonds (distance) P-C4' energy: -47.302
flat angles C4'-P-C4' energy: -46.526
flat angles P-C4'-P energy: -37.689
tors. eta vs tors. theta energy: -59.694
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: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -701.464409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.464409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.464409 (E_RNA)
where:
Base-Base interactions energy: -484.639
where: short stacking energy: -205.176
Base-Backbone interact. energy: 4.558
local terms energy: -221.383114
where:
bonds (distance) C4'-P energy: -41.858
bonds (distance) P-C4' energy: -35.838
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -35.997
tors. eta vs tors. theta energy: -64.410
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: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -632.913457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.913457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.913457 (E_RNA)
where:
Base-Base interactions energy: -429.031
where: short stacking energy: -184.097
Base-Backbone interact. energy: -0.872
local terms energy: -203.010976
where:
bonds (distance) C4'-P energy: -43.769
bonds (distance) P-C4' energy: -42.240
flat angles C4'-P-C4' energy: -47.463
flat angles P-C4'-P energy: -20.278
tors. eta vs tors. theta energy: -49.261
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: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -587.171497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.171497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.171497 (E_RNA)
where:
Base-Base interactions energy: -393.223
where: short stacking energy: -179.836
Base-Backbone interact. energy: 0.886
local terms energy: -194.833964
where:
bonds (distance) C4'-P energy: -36.960
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -43.700
flat angles P-C4'-P energy: -36.052
tors. eta vs tors. theta energy: -48.279
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: 7, replica: 7
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -529.161413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.161413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.161413 (E_RNA)
where:
Base-Base interactions energy: -352.485
where: short stacking energy: -167.121
Base-Backbone interact. energy: 0.806
local terms energy: -177.482332
where:
bonds (distance) C4'-P energy: -38.060
bonds (distance) P-C4' energy: -30.574
flat angles C4'-P-C4' energy: -37.156
flat angles P-C4'-P energy: -30.138
tors. eta vs tors. theta energy: -41.555
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: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -398.482160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.482160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.482160 (E_RNA)
where:
Base-Base interactions energy: -235.441
where: short stacking energy: -141.145
Base-Backbone interact. energy: 1.686
local terms energy: -164.727071
where:
bonds (distance) C4'-P energy: -38.680
bonds (distance) P-C4' energy: -33.443
flat angles C4'-P-C4' energy: -37.751
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -28.929
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: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -351.951118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.951118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.951118 (E_RNA)
where:
Base-Base interactions energy: -208.958
where: short stacking energy: -118.309
Base-Backbone interact. energy: -0.922
local terms energy: -142.071888
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -17.149
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: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -213.181584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.181584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.181584 (E_RNA)
where:
Base-Base interactions energy: -90.588
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.233
local terms energy: -122.360051
where:
bonds (distance) C4'-P energy: -31.720
bonds (distance) P-C4' energy: -37.785
flat angles C4'-P-C4' energy: -28.568
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: 0.772
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: 1, replica: 6
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -747.635151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.635151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.635151 (E_RNA)
where:
Base-Base interactions energy: -511.629
where: short stacking energy: -203.488
Base-Backbone interact. energy: -2.839
local terms energy: -233.167397
where:
bonds (distance) C4'-P energy: -36.706
bonds (distance) P-C4' energy: -52.631
flat angles C4'-P-C4' energy: -53.184
flat angles P-C4'-P energy: -30.962
tors. eta vs tors. theta energy: -59.685
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: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -694.290849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.290849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.290849 (E_RNA)
where:
Base-Base interactions energy: -466.355
where: short stacking energy: -220.762
Base-Backbone interact. energy: -0.133
local terms energy: -227.802889
where:
bonds (distance) C4'-P energy: -45.599
bonds (distance) P-C4' energy: -41.540
flat angles C4'-P-C4' energy: -50.471
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: -56.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -700.455297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.455297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.455297 (E_RNA)
where:
Base-Base interactions energy: -492.177
where: short stacking energy: -207.410
Base-Backbone interact. energy: -0.921
local terms energy: -207.357301
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -34.817
flat angles C4'-P-C4' energy: -45.399
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -56.125
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: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -678.911034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.911034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.911034 (E_RNA)
where:
Base-Base interactions energy: -474.063
where: short stacking energy: -195.812
Base-Backbone interact. energy: -0.007
local terms energy: -204.841027
where:
bonds (distance) C4'-P energy: -40.346
bonds (distance) P-C4' energy: -42.408
flat angles C4'-P-C4' energy: -40.672
flat angles P-C4'-P energy: -29.540
tors. eta vs tors. theta energy: -51.875
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: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -683.713985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.713985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.713985 (E_RNA)
where:
Base-Base interactions energy: -479.515
where: short stacking energy: -206.701
Base-Backbone interact. energy: 6.624
local terms energy: -210.822911
where:
bonds (distance) C4'-P energy: -41.624
bonds (distance) P-C4' energy: -36.484
flat angles C4'-P-C4' energy: -43.856
flat angles P-C4'-P energy: -29.158
tors. eta vs tors. theta energy: -59.701
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: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -592.559532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.559532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.559532 (E_RNA)
where:
Base-Base interactions energy: -403.044
where: short stacking energy: -180.976
Base-Backbone interact. energy: -2.341
local terms energy: -187.174807
where:
bonds (distance) C4'-P energy: -36.178
bonds (distance) P-C4' energy: -37.310
flat angles C4'-P-C4' energy: -46.556
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -46.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -516.743191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.743191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.743191 (E_RNA)
where:
Base-Base interactions energy: -340.269
where: short stacking energy: -160.778
Base-Backbone interact. energy: -1.419
local terms energy: -175.055365
where:
bonds (distance) C4'-P energy: -37.388
bonds (distance) P-C4' energy: -37.386
flat angles C4'-P-C4' energy: -38.600
flat angles P-C4'-P energy: -22.495
tors. eta vs tors. theta energy: -39.186
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: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -368.197691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.197691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.197691 (E_RNA)
where:
Base-Base interactions energy: -223.871
where: short stacking energy: -115.239
Base-Backbone interact. energy: -1.707
local terms energy: -142.620350
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -37.697
flat angles C4'-P-C4' energy: -41.726
flat angles P-C4'-P energy: -18.707
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -379.206530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.206530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.206530 (E_RNA)
where:
Base-Base interactions energy: -223.377
where: short stacking energy: -124.815
Base-Backbone interact. energy: 1.743
local terms energy: -157.572389
where:
bonds (distance) C4'-P energy: -35.867
bonds (distance) P-C4' energy: -35.045
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -32.819
tors. eta vs tors. theta energy: -14.569
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: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -193.289405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.289405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.289405 (E_RNA)
where:
Base-Base interactions energy: -57.580
where: short stacking energy: -57.421
Base-Backbone interact. energy: -1.282
local terms energy: -134.426998
where:
bonds (distance) C4'-P energy: -31.557
bonds (distance) P-C4' energy: -37.688
flat angles C4'-P-C4' energy: -34.055
flat angles P-C4'-P energy: -26.586
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -702.679305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.679305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.679305 (E_RNA)
where:
Base-Base interactions energy: -485.920
where: short stacking energy: -201.597
Base-Backbone interact. energy: 0.605
local terms energy: -217.363839
where:
bonds (distance) C4'-P energy: -37.127
bonds (distance) P-C4' energy: -46.961
flat angles C4'-P-C4' energy: -44.145
flat angles P-C4'-P energy: -32.354
tors. eta vs tors. theta energy: -56.775
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: 2, replica: 6
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -722.833272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.833272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.833272 (E_RNA)
where:
Base-Base interactions energy: -500.854
where: short stacking energy: -212.751
Base-Backbone interact. energy: -0.486
local terms energy: -221.493371
where:
bonds (distance) C4'-P energy: -40.136
bonds (distance) P-C4' energy: -43.125
flat angles C4'-P-C4' energy: -48.303
flat angles P-C4'-P energy: -37.401
tors. eta vs tors. theta energy: -52.528
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: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -690.337817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.337817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.337817 (E_RNA)
where:
Base-Base interactions energy: -462.475
where: short stacking energy: -198.744
Base-Backbone interact. energy: 0.006
local terms energy: -227.868203
where:
bonds (distance) C4'-P energy: -36.504
bonds (distance) P-C4' energy: -48.603
flat angles C4'-P-C4' energy: -42.656
flat angles P-C4'-P energy: -37.611
tors. eta vs tors. theta energy: -62.494
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: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -661.320553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.320553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.320553 (E_RNA)
where:
Base-Base interactions energy: -453.137
where: short stacking energy: -193.541
Base-Backbone interact. energy: -1.967
local terms energy: -206.216508
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -41.357
flat angles C4'-P-C4' energy: -45.374
flat angles P-C4'-P energy: -30.988
tors. eta vs tors. theta energy: -48.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -679.751948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.751948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.751948 (E_RNA)
where:
Base-Base interactions energy: -471.720
where: short stacking energy: -201.326
Base-Backbone interact. energy: -0.324
local terms energy: -207.707211
where:
bonds (distance) C4'-P energy: -36.690
bonds (distance) P-C4' energy: -36.213
flat angles C4'-P-C4' energy: -44.860
flat angles P-C4'-P energy: -31.390
tors. eta vs tors. theta energy: -58.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -610.293720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.293720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.293720 (E_RNA)
where:
Base-Base interactions energy: -397.309
where: short stacking energy: -179.939
Base-Backbone interact. energy: -0.458
local terms energy: -212.526752
where:
bonds (distance) C4'-P energy: -33.202
bonds (distance) P-C4' energy: -44.298
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -54.830
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: 7
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -500.190643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.190643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.190643 (E_RNA)
where:
Base-Base interactions energy: -329.130
where: short stacking energy: -146.734
Base-Backbone interact. energy: -0.604
local terms energy: -170.457481
where:
bonds (distance) C4'-P energy: -25.765
bonds (distance) P-C4' energy: -37.242
flat angles C4'-P-C4' energy: -42.331
flat angles P-C4'-P energy: -31.927
tors. eta vs tors. theta energy: -33.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -378.401868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.401868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.401868 (E_RNA)
where:
Base-Base interactions energy: -224.448
where: short stacking energy: -100.445
Base-Backbone interact. energy: 0.121
local terms energy: -154.074616
where:
bonds (distance) C4'-P energy: -42.063
bonds (distance) P-C4' energy: -39.063
flat angles C4'-P-C4' energy: -40.635
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -14.533
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: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -397.535253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.535253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.535253 (E_RNA)
where:
Base-Base interactions energy: -245.363
where: short stacking energy: -127.965
Base-Backbone interact. energy: -0.554
local terms energy: -151.618000
where:
bonds (distance) C4'-P energy: -39.134
bonds (distance) P-C4' energy: -29.924
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -29.851
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: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -208.598541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.598541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.598541 (E_RNA)
where:
Base-Base interactions energy: -84.379
where: short stacking energy: -69.168
Base-Backbone interact. energy: -0.770
local terms energy: -123.450062
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -35.759
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -722.893298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.893298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.893298 (E_RNA)
where:
Base-Base interactions energy: -496.488
where: short stacking energy: -211.225
Base-Backbone interact. energy: -0.593
local terms energy: -225.811986
where:
bonds (distance) C4'-P energy: -42.785
bonds (distance) P-C4' energy: -45.189
flat angles C4'-P-C4' energy: -46.441
flat angles P-C4'-P energy: -27.163
tors. eta vs tors. theta energy: -64.235
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: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -728.826833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.826833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.826833 (E_RNA)
where:
Base-Base interactions energy: -513.690
where: short stacking energy: -220.014
Base-Backbone interact. energy: -1.511
local terms energy: -213.625900
where:
bonds (distance) C4'-P energy: -40.313
bonds (distance) P-C4' energy: -38.885
flat angles C4'-P-C4' energy: -44.663
flat angles P-C4'-P energy: -25.457
tors. eta vs tors. theta energy: -64.307
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: 4
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -710.235477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.235477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.235477 (E_RNA)
where:
Base-Base interactions energy: -478.890
where: short stacking energy: -209.952
Base-Backbone interact. energy: 0.096
local terms energy: -231.441694
where:
bonds (distance) C4'-P energy: -46.641
bonds (distance) P-C4' energy: -48.367
flat angles C4'-P-C4' energy: -44.267
flat angles P-C4'-P energy: -30.844
tors. eta vs tors. theta energy: -61.323
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: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -665.830394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.830394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.830394 (E_RNA)
where:
Base-Base interactions energy: -469.166
where: short stacking energy: -199.963
Base-Backbone interact. energy: -1.057
local terms energy: -195.607938
where:
bonds (distance) C4'-P energy: -35.336
bonds (distance) P-C4' energy: -33.880
flat angles C4'-P-C4' energy: -46.602
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -46.458
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: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -674.994456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.994456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.994456 (E_RNA)
where:
Base-Base interactions energy: -467.709
where: short stacking energy: -198.519
Base-Backbone interact. energy: 2.670
local terms energy: -209.955973
where:
bonds (distance) C4'-P energy: -40.063
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -37.693
flat angles P-C4'-P energy: -32.521
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: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -619.371351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.371351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.371351 (E_RNA)
where:
Base-Base interactions energy: -412.763
where: short stacking energy: -185.818
Base-Backbone interact. energy: -0.424
local terms energy: -206.184591
where:
bonds (distance) C4'-P energy: -32.783
bonds (distance) P-C4' energy: -43.247
flat angles C4'-P-C4' energy: -47.188
flat angles P-C4'-P energy: -28.561
tors. eta vs tors. theta energy: -54.406
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: 7
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -497.859170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.859170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.859170 (E_RNA)
where:
Base-Base interactions energy: -335.576
where: short stacking energy: -143.142
Base-Backbone interact. energy: -1.708
local terms energy: -160.575003
where:
bonds (distance) C4'-P energy: -27.838
bonds (distance) P-C4' energy: -41.546
flat angles C4'-P-C4' energy: -35.107
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -28.701
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: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -398.804342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.804342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.804342 (E_RNA)
where:
Base-Base interactions energy: -233.523
where: short stacking energy: -118.644
Base-Backbone interact. energy: 0.109
local terms energy: -165.390083
where:
bonds (distance) C4'-P energy: -40.031
bonds (distance) P-C4' energy: -42.449
flat angles C4'-P-C4' energy: -44.696
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: -20.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -310.757769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.757769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.757769 (E_RNA)
where:
Base-Base interactions energy: -176.216
where: short stacking energy: -79.766
Base-Backbone interact. energy: -2.180
local terms energy: -132.362156
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -39.257
flat angles C4'-P-C4' energy: -45.499
flat angles P-C4'-P energy: -22.368
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -191.805491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.805491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.805491 (E_RNA)
where:
Base-Base interactions energy: -71.984
where: short stacking energy: -42.753
Base-Backbone interact. energy: -0.076
local terms energy: -119.745976
where:
bonds (distance) C4'-P energy: -47.076
bonds (distance) P-C4' energy: -29.523
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -28.347
tors. eta vs tors. theta energy: 5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -748.779050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.779050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.779050 (E_RNA)
where:
Base-Base interactions energy: -511.160
where: short stacking energy: -215.044
Base-Backbone interact. energy: -1.312
local terms energy: -236.307011
where:
bonds (distance) C4'-P energy: -44.953
bonds (distance) P-C4' energy: -44.421
flat angles C4'-P-C4' energy: -47.455
flat angles P-C4'-P energy: -29.345
tors. eta vs tors. theta energy: -70.133
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: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -705.323867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.323867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.323867 (E_RNA)
where:
Base-Base interactions energy: -484.784
where: short stacking energy: -204.901
Base-Backbone interact. energy: 0.147
local terms energy: -220.686827
where:
bonds (distance) C4'-P energy: -40.094
bonds (distance) P-C4' energy: -42.605
flat angles C4'-P-C4' energy: -50.048
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -60.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -685.786231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.786231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.786231 (E_RNA)
where:
Base-Base interactions energy: -471.259
where: short stacking energy: -212.954
Base-Backbone interact. energy: -1.948
local terms energy: -212.578534
where:
bonds (distance) C4'-P energy: -37.261
bonds (distance) P-C4' energy: -41.286
flat angles C4'-P-C4' energy: -48.993
flat angles P-C4'-P energy: -29.857
tors. eta vs tors. theta energy: -55.182
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: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -667.621012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.621012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.621012 (E_RNA)
where:
Base-Base interactions energy: -462.461
where: short stacking energy: -199.393
Base-Backbone interact. energy: -0.696
local terms energy: -204.463958
where:
bonds (distance) C4'-P energy: -33.721
bonds (distance) P-C4' energy: -41.085
flat angles C4'-P-C4' energy: -48.869
flat angles P-C4'-P energy: -32.253
tors. eta vs tors. theta energy: -48.536
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: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -669.622606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.622606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.622606 (E_RNA)
where:
Base-Base interactions energy: -459.920
where: short stacking energy: -207.681
Base-Backbone interact. energy: -2.013
local terms energy: -207.689898
where:
bonds (distance) C4'-P energy: -30.863
bonds (distance) P-C4' energy: -40.687
flat angles C4'-P-C4' energy: -43.336
flat angles P-C4'-P energy: -31.972
tors. eta vs tors. theta energy: -60.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -597.189896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.189896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.189896 (E_RNA)
where:
Base-Base interactions energy: -391.318
where: short stacking energy: -176.541
Base-Backbone interact. energy: -0.431
local terms energy: -205.440268
where:
bonds (distance) C4'-P energy: -42.391
bonds (distance) P-C4' energy: -40.524
flat angles C4'-P-C4' energy: -45.888
flat angles P-C4'-P energy: -29.045
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: 7, replica: 7
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -518.401822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.401822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.401822 (E_RNA)
where:
Base-Base interactions energy: -356.571
where: short stacking energy: -156.457
Base-Backbone interact. energy: -2.254
local terms energy: -159.576332
where:
bonds (distance) C4'-P energy: -35.355
bonds (distance) P-C4' energy: -29.525
flat angles C4'-P-C4' energy: -42.492
flat angles P-C4'-P energy: -25.752
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -380.240122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.240122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.240122 (E_RNA)
where:
Base-Base interactions energy: -217.410
where: short stacking energy: -106.169
Base-Backbone interact. energy: 0.503
local terms energy: -163.333125
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -41.363
flat angles C4'-P-C4' energy: -25.777
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -23.129
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: 8
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -290.356364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.356364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.356364 (E_RNA)
where:
Base-Base interactions energy: -160.673
where: short stacking energy: -85.428
Base-Backbone interact. energy: -1.115
local terms energy: -128.568114
where:
bonds (distance) C4'-P energy: -32.273
bonds (distance) P-C4' energy: -40.158
flat angles C4'-P-C4' energy: -35.798
flat angles P-C4'-P energy: -19.287
tors. eta vs tors. theta energy: -1.053
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: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -207.776109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.776109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.776109 (E_RNA)
where:
Base-Base interactions energy: -79.760
where: short stacking energy: -75.171
Base-Backbone interact. energy: 1.400
local terms energy: -129.415285
where:
bonds (distance) C4'-P energy: -39.988
bonds (distance) P-C4' energy: -35.673
flat angles C4'-P-C4' energy: -32.472
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -3.067
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: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -753.386233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.386233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.386233 (E_RNA)
where:
Base-Base interactions energy: -521.524
where: short stacking energy: -212.654
Base-Backbone interact. energy: -1.436
local terms energy: -230.426583
where:
bonds (distance) C4'-P energy: -48.832
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -47.284
flat angles P-C4'-P energy: -32.531
tors. eta vs tors. theta energy: -57.420
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: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -705.990379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.990379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.990379 (E_RNA)
where:
Base-Base interactions energy: -484.333
where: short stacking energy: -208.054
Base-Backbone interact. energy: -0.529
local terms energy: -221.128553
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -49.129
flat angles C4'-P-C4' energy: -46.477
flat angles P-C4'-P energy: -25.169
tors. eta vs tors. theta energy: -57.528
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: 4
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -688.666993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.666993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.666993 (E_RNA)
where:
Base-Base interactions energy: -475.415
where: short stacking energy: -211.875
Base-Backbone interact. energy: -0.457
local terms energy: -212.794832
where:
bonds (distance) C4'-P energy: -43.929
bonds (distance) P-C4' energy: -38.629
flat angles C4'-P-C4' energy: -42.875
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -56.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -671.760181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.760181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.760181 (E_RNA)
where:
Base-Base interactions energy: -466.324
where: short stacking energy: -202.531
Base-Backbone interact. energy: 1.200
local terms energy: -206.636299
where:
bonds (distance) C4'-P energy: -41.547
bonds (distance) P-C4' energy: -35.025
flat angles C4'-P-C4' energy: -46.256
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -50.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -666.634931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.634931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.634931 (E_RNA)
where:
Base-Base interactions energy: -454.411
where: short stacking energy: -190.120
Base-Backbone interact. energy: 0.733
local terms energy: -212.957428
where:
bonds (distance) C4'-P energy: -44.250
bonds (distance) P-C4' energy: -37.280
flat angles C4'-P-C4' energy: -46.394
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: -56.433
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: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -599.993269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.993269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.993269 (E_RNA)
where:
Base-Base interactions energy: -399.181
where: short stacking energy: -186.833
Base-Backbone interact. energy: 0.120
local terms energy: -200.931900
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -31.955
flat angles C4'-P-C4' energy: -44.021
flat angles P-C4'-P energy: -30.097
tors. eta vs tors. theta energy: -55.785
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: 7
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -516.888607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.888607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.888607 (E_RNA)
where:
Base-Base interactions energy: -335.416
where: short stacking energy: -147.069
Base-Backbone interact. energy: -0.085
local terms energy: -181.387322
where:
bonds (distance) C4'-P energy: -48.214
bonds (distance) P-C4' energy: -36.960
flat angles C4'-P-C4' energy: -45.499
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -27.609
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: 10
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -388.532818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.532818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.532818 (E_RNA)
where:
Base-Base interactions energy: -231.051
where: short stacking energy: -118.130
Base-Backbone interact. energy: -1.365
local terms energy: -156.117103
where:
bonds (distance) C4'-P energy: -42.766
bonds (distance) P-C4' energy: -39.343
flat angles C4'-P-C4' energy: -40.592
flat angles P-C4'-P energy: -17.886
tors. eta vs tors. theta energy: -15.529
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: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -306.345075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.345075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.345075 (E_RNA)
where:
Base-Base interactions energy: -162.937
where: short stacking energy: -92.880
Base-Backbone interact. energy: -1.158
local terms energy: -142.250366
where:
bonds (distance) C4'-P energy: -40.156
bonds (distance) P-C4' energy: -37.830
flat angles C4'-P-C4' energy: -33.676
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -11.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -194.195340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.195340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.195340 (E_RNA)
where:
Base-Base interactions energy: -66.496
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.532
local terms energy: -127.167295
where:
bonds (distance) C4'-P energy: -39.296
bonds (distance) P-C4' energy: -36.561
flat angles C4'-P-C4' energy: -29.604
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -5.141
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: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -754.939941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.939941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.939941 (E_RNA)
where:
Base-Base interactions energy: -527.669
where: short stacking energy: -220.247
Base-Backbone interact. energy: -0.409
local terms energy: -226.862094
where:
bonds (distance) C4'-P energy: -48.260
bonds (distance) P-C4' energy: -40.617
flat angles C4'-P-C4' energy: -49.400
flat angles P-C4'-P energy: -32.839
tors. eta vs tors. theta energy: -55.745
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: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -699.568077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.568077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.568077 (E_RNA)
where:
Base-Base interactions energy: -476.180
where: short stacking energy: -212.830
Base-Backbone interact. energy: -0.600
local terms energy: -222.787866
where:
bonds (distance) C4'-P energy: -38.958
bonds (distance) P-C4' energy: -41.044
flat angles C4'-P-C4' energy: -48.089
flat angles P-C4'-P energy: -32.596
tors. eta vs tors. theta energy: -62.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -696.039330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.039330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.039330 (E_RNA)
where:
Base-Base interactions energy: -465.459
where: short stacking energy: -192.347
Base-Backbone interact. energy: -0.250
local terms energy: -230.330235
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -53.609
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -59.879
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: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -653.753504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.753504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.753504 (E_RNA)
where:
Base-Base interactions energy: -460.594
where: short stacking energy: -179.189
Base-Backbone interact. energy: 1.156
local terms energy: -194.315241
where:
bonds (distance) C4'-P energy: -35.027
bonds (distance) P-C4' energy: -43.753
flat angles C4'-P-C4' energy: -41.616
flat angles P-C4'-P energy: -29.099
tors. eta vs tors. theta energy: -44.820
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: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -639.349540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.349540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.349540 (E_RNA)
where:
Base-Base interactions energy: -429.182
where: short stacking energy: -190.741
Base-Backbone interact. energy: -0.154
local terms energy: -210.014205
where:
bonds (distance) C4'-P energy: -39.277
bonds (distance) P-C4' energy: -44.937
flat angles C4'-P-C4' energy: -42.853
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: -55.941
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: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -633.056735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.056735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.056735 (E_RNA)
where:
Base-Base interactions energy: -431.776
where: short stacking energy: -190.744
Base-Backbone interact. energy: -1.688
local terms energy: -199.593020
where:
bonds (distance) C4'-P energy: -31.633
bonds (distance) P-C4' energy: -46.134
flat angles C4'-P-C4' energy: -43.545
flat angles P-C4'-P energy: -32.674
tors. eta vs tors. theta energy: -45.607
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: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -508.081998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.081998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.081998 (E_RNA)
where:
Base-Base interactions energy: -322.723
where: short stacking energy: -160.624
Base-Backbone interact. energy: -1.421
local terms energy: -183.937756
where:
bonds (distance) C4'-P energy: -29.279
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -38.604
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -43.458
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: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -413.319273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.319273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.319273 (E_RNA)
where:
Base-Base interactions energy: -251.431
where: short stacking energy: -133.405
Base-Backbone interact. energy: -0.309
local terms energy: -161.579226
where:
bonds (distance) C4'-P energy: -38.397
bonds (distance) P-C4' energy: -42.312
flat angles C4'-P-C4' energy: -30.377
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -31.385
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: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -293.207792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.207792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.207792 (E_RNA)
where:
Base-Base interactions energy: -152.033
where: short stacking energy: -87.590
Base-Backbone interact. energy: -1.542
local terms energy: -139.632832
where:
bonds (distance) C4'-P energy: -35.949
bonds (distance) P-C4' energy: -40.178
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -11.022
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: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -196.396065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.396065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.396065 (E_RNA)
where:
Base-Base interactions energy: -76.516
where: short stacking energy: -58.303
Base-Backbone interact. energy: -0.916
local terms energy: -118.964895
where:
bonds (distance) C4'-P energy: -37.860
bonds (distance) P-C4' energy: -40.546
flat angles C4'-P-C4' energy: -30.293
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: 9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -751.314035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.314035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.314035 (E_RNA)
where:
Base-Base interactions energy: -533.054
where: short stacking energy: -201.727
Base-Backbone interact. energy: -2.158
local terms energy: -216.102144
where:
bonds (distance) C4'-P energy: -46.235
bonds (distance) P-C4' energy: -43.324
flat angles C4'-P-C4' energy: -44.994
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -53.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -702.919384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.919384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.919384 (E_RNA)
where:
Base-Base interactions energy: -465.887
where: short stacking energy: -218.391
Base-Backbone interact. energy: -1.360
local terms energy: -235.672237
where:
bonds (distance) C4'-P energy: -44.978
bonds (distance) P-C4' energy: -40.497
flat angles C4'-P-C4' energy: -51.751
flat angles P-C4'-P energy: -37.655
tors. eta vs tors. theta energy: -60.791
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: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -703.972911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.972911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.972911 (E_RNA)
where:
Base-Base interactions energy: -474.348
where: short stacking energy: -217.497
Base-Backbone interact. energy: 1.966
local terms energy: -231.590364
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -45.117
flat angles C4'-P-C4' energy: -51.783
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -61.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -656.344253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.344253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.344253 (E_RNA)
where:
Base-Base interactions energy: -447.902
where: short stacking energy: -186.672
Base-Backbone interact. energy: -0.849
local terms energy: -207.592967
where:
bonds (distance) C4'-P energy: -36.589
bonds (distance) P-C4' energy: -45.278
flat angles C4'-P-C4' energy: -47.734
flat angles P-C4'-P energy: -24.489
tors. eta vs tors. theta energy: -53.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -626.398399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.398399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.398399 (E_RNA)
where:
Base-Base interactions energy: -433.703
where: short stacking energy: -197.168
Base-Backbone interact. energy: -0.504
local terms energy: -192.192173
where:
bonds (distance) C4'-P energy: -37.017
bonds (distance) P-C4' energy: -30.696
flat angles C4'-P-C4' energy: -46.478
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: -54.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -610.513025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.513025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.513025 (E_RNA)
where:
Base-Base interactions energy: -422.061
where: short stacking energy: -170.206
Base-Backbone interact. energy: 7.144
local terms energy: -195.595192
where:
bonds (distance) C4'-P energy: -34.766
bonds (distance) P-C4' energy: -47.806
flat angles C4'-P-C4' energy: -41.531
flat angles P-C4'-P energy: -23.122
tors. eta vs tors. theta energy: -48.369
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: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -495.772279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.772279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.772279 (E_RNA)
where:
Base-Base interactions energy: -314.546
where: short stacking energy: -142.439
Base-Backbone interact. energy: -0.322
local terms energy: -180.904499
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -44.293
flat angles C4'-P-C4' energy: -37.198
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -33.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -433.710043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.710043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.710043 (E_RNA)
where:
Base-Base interactions energy: -263.613
where: short stacking energy: -139.118
Base-Backbone interact. energy: 0.153
local terms energy: -170.250038
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -36.932
flat angles C4'-P-C4' energy: -41.439
flat angles P-C4'-P energy: -32.216
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: 9, replica: 8
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -285.656469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.656469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.656469 (E_RNA)
where:
Base-Base interactions energy: -151.675
where: short stacking energy: -89.244
Base-Backbone interact. energy: -0.494
local terms energy: -133.487941
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -36.641
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -25.324
tors. eta vs tors. theta energy: -7.633
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: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -203.166152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.166152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.166152 (E_RNA)
where:
Base-Base interactions energy: -71.720
where: short stacking energy: -65.771
Base-Backbone interact. energy: -0.714
local terms energy: -130.732206
where:
bonds (distance) C4'-P energy: -44.468
bonds (distance) P-C4' energy: -39.590
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -0.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -757.268750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.268750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.268750 (E_RNA)
where:
Base-Base interactions energy: -536.061
where: short stacking energy: -207.437
Base-Backbone interact. energy: -0.843
local terms energy: -220.365145
where:
bonds (distance) C4'-P energy: -42.549
bonds (distance) P-C4' energy: -44.520
flat angles C4'-P-C4' energy: -38.015
flat angles P-C4'-P energy: -36.420
tors. eta vs tors. theta energy: -58.861
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: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -700.847461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.847461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.847461 (E_RNA)
where:
Base-Base interactions energy: -470.790
where: short stacking energy: -204.671
Base-Backbone interact. energy: 2.841
local terms energy: -232.898458
where:
bonds (distance) C4'-P energy: -43.331
bonds (distance) P-C4' energy: -45.460
flat angles C4'-P-C4' energy: -51.409
flat angles P-C4'-P energy: -31.731
tors. eta vs tors. theta energy: -60.967
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: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -692.745095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.745095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.745095 (E_RNA)
where:
Base-Base interactions energy: -476.184
where: short stacking energy: -209.956
Base-Backbone interact. energy: -2.146
local terms energy: -214.415712
where:
bonds (distance) C4'-P energy: -30.040
bonds (distance) P-C4' energy: -39.721
flat angles C4'-P-C4' energy: -48.426
flat angles P-C4'-P energy: -33.886
tors. eta vs tors. theta energy: -62.343
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: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -653.289682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.289682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.289682 (E_RNA)
where:
Base-Base interactions energy: -444.691
where: short stacking energy: -202.778
Base-Backbone interact. energy: -0.298
local terms energy: -208.300534
where:
bonds (distance) C4'-P energy: -41.168
bonds (distance) P-C4' energy: -41.045
flat angles C4'-P-C4' energy: -46.314
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -54.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -635.776762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.776762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.776762 (E_RNA)
where:
Base-Base interactions energy: -432.877
where: short stacking energy: -199.934
Base-Backbone interact. energy: -0.497
local terms energy: -202.403321
where:
bonds (distance) C4'-P energy: -38.240
bonds (distance) P-C4' energy: -36.101
flat angles C4'-P-C4' energy: -45.453
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -50.912
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: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -589.876711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.876711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.876711 (E_RNA)
where:
Base-Base interactions energy: -378.317
where: short stacking energy: -169.896
Base-Backbone interact. energy: -2.309
local terms energy: -209.250609
where:
bonds (distance) C4'-P energy: -47.544
bonds (distance) P-C4' energy: -43.483
flat angles C4'-P-C4' energy: -43.494
flat angles P-C4'-P energy: -26.078
tors. eta vs tors. theta energy: -48.651
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: 7, replica: 7
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -463.612801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.612801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.612801 (E_RNA)
where:
Base-Base interactions energy: -307.970
where: short stacking energy: -140.107
Base-Backbone interact. energy: -1.813
local terms energy: -153.829344
where:
bonds (distance) C4'-P energy: -28.367
bonds (distance) P-C4' energy: -32.369
flat angles C4'-P-C4' energy: -41.203
flat angles P-C4'-P energy: -27.513
tors. eta vs tors. theta energy: -24.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -390.167206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.167206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.167206 (E_RNA)
where:
Base-Base interactions energy: -247.781
where: short stacking energy: -138.992
Base-Backbone interact. energy: 8.817
local terms energy: -151.203622
where:
bonds (distance) C4'-P energy: -35.035
bonds (distance) P-C4' energy: -35.003
flat angles C4'-P-C4' energy: -35.739
flat angles P-C4'-P energy: -25.098
tors. eta vs tors. theta energy: -20.329
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: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -205.655323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.655323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.655323 (E_RNA)
where:
Base-Base interactions energy: -77.006
where: short stacking energy: -72.870
Base-Backbone interact. energy: 1.747
local terms energy: -130.396641
where:
bonds (distance) C4'-P energy: -32.334
bonds (distance) P-C4' energy: -40.164
flat angles C4'-P-C4' energy: -33.592
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: -2.996
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: 160
Temperature: 1.350000
Total energy: -299.471657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.471657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.471657 (E_RNA)
where:
Base-Base interactions energy: -153.242
where: short stacking energy: -81.493
Base-Backbone interact. energy: -0.569
local terms energy: -145.661076
where:
bonds (distance) C4'-P energy: -35.463
bonds (distance) P-C4' energy: -39.387
flat angles C4'-P-C4' energy: -38.804
flat angles P-C4'-P energy: -17.944
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -743.792266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.792266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.792266 (E_RNA)
where:
Base-Base interactions energy: -525.614
where: short stacking energy: -214.916
Base-Backbone interact. energy: -1.403
local terms energy: -216.774619
where:
bonds (distance) C4'-P energy: -43.309
bonds (distance) P-C4' energy: -45.817
flat angles C4'-P-C4' energy: -44.885
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -57.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -713.980237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.980237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.980237 (E_RNA)
where:
Base-Base interactions energy: -484.239
where: short stacking energy: -206.803
Base-Backbone interact. energy: -0.916
local terms energy: -228.825408
where:
bonds (distance) C4'-P energy: -43.752
bonds (distance) P-C4' energy: -42.447
flat angles C4'-P-C4' energy: -47.252
flat angles P-C4'-P energy: -33.339
tors. eta vs tors. theta energy: -62.035
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: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -684.136419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.136419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.136419 (E_RNA)
where:
Base-Base interactions energy: -479.215
where: short stacking energy: -195.377
Base-Backbone interact. energy: -1.660
local terms energy: -203.261338
where:
bonds (distance) C4'-P energy: -44.349
bonds (distance) P-C4' energy: -37.183
flat angles C4'-P-C4' energy: -39.177
flat angles P-C4'-P energy: -29.437
tors. eta vs tors. theta energy: -53.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -654.563846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.563846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.563846 (E_RNA)
where:
Base-Base interactions energy: -455.131
where: short stacking energy: -204.206
Base-Backbone interact. energy: -0.292
local terms energy: -199.141071
where:
bonds (distance) C4'-P energy: -35.043
bonds (distance) P-C4' energy: -42.384
flat angles C4'-P-C4' energy: -42.086
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -55.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -640.095965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.095965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.095965 (E_RNA)
where:
Base-Base interactions energy: -440.049
where: short stacking energy: -196.001
Base-Backbone interact. energy: -1.278
local terms energy: -198.769338
where:
bonds (distance) C4'-P energy: -38.797
bonds (distance) P-C4' energy: -31.193
flat angles C4'-P-C4' energy: -43.934
flat angles P-C4'-P energy: -29.411
tors. eta vs tors. theta energy: -55.433
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: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -585.455626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.455626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.455626 (E_RNA)
where:
Base-Base interactions energy: -393.168
where: short stacking energy: -161.501
Base-Backbone interact. energy: -0.270
local terms energy: -192.017851
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -37.539
flat angles C4'-P-C4' energy: -45.749
flat angles P-C4'-P energy: -30.580
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: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -514.659477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.659477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.659477 (E_RNA)
where:
Base-Base interactions energy: -336.862
where: short stacking energy: -142.615
Base-Backbone interact. energy: -0.701
local terms energy: -177.096732
where:
bonds (distance) C4'-P energy: -38.468
bonds (distance) P-C4' energy: -45.448
flat angles C4'-P-C4' energy: -37.633
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -33.948
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: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -402.800818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.800818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.800818 (E_RNA)
where:
Base-Base interactions energy: -248.882
where: short stacking energy: -119.403
Base-Backbone interact. energy: -1.545
local terms energy: -152.373923
where:
bonds (distance) C4'-P energy: -43.268
bonds (distance) P-C4' energy: -37.113
flat angles C4'-P-C4' energy: -35.038
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -16.040
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: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -220.641964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.641964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.641964 (E_RNA)
where:
Base-Base interactions energy: -89.197
where: short stacking energy: -79.741
Base-Backbone interact. energy: -0.491
local terms energy: -130.953411
where:
bonds (distance) C4'-P energy: -45.576
bonds (distance) P-C4' energy: -32.837
flat angles C4'-P-C4' energy: -35.294
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -4.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -289.023543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.023543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.023543 (E_RNA)
where:
Base-Base interactions energy: -154.193
where: short stacking energy: -75.532
Base-Backbone interact. energy: -0.659
local terms energy: -134.171487
where:
bonds (distance) C4'-P energy: -41.271
bonds (distance) P-C4' energy: -38.221
flat angles C4'-P-C4' energy: -35.654
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -743.459032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.459032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.459032 (E_RNA)
where:
Base-Base interactions energy: -485.135
where: short stacking energy: -223.448
Base-Backbone interact. energy: -0.031
local terms energy: -258.292460
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -44.558
flat angles C4'-P-C4' energy: -51.459
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -70.419
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: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -728.070386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.070386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.070386 (E_RNA)
where:
Base-Base interactions energy: -509.403
where: short stacking energy: -197.052
Base-Backbone interact. energy: 0.345
local terms energy: -219.012771
where:
bonds (distance) C4'-P energy: -47.118
bonds (distance) P-C4' energy: -45.285
flat angles C4'-P-C4' energy: -44.313
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: -57.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -700.411211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.411211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.411211 (E_RNA)
where:
Base-Base interactions energy: -477.676
where: short stacking energy: -192.966
Base-Backbone interact. energy: -1.576
local terms energy: -221.159520
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -43.518
flat angles C4'-P-C4' energy: -46.849
flat angles P-C4'-P energy: -36.025
tors. eta vs tors. theta energy: -53.983
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: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -620.576635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.576635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.576635 (E_RNA)
where:
Base-Base interactions energy: -422.461
where: short stacking energy: -189.089
Base-Backbone interact. energy: -0.448
local terms energy: -197.666823
where:
bonds (distance) C4'-P energy: -41.438
bonds (distance) P-C4' energy: -36.837
flat angles C4'-P-C4' energy: -41.998
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -55.277
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: 5, replica: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -646.538251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.538251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.538251 (E_RNA)
where:
Base-Base interactions energy: -449.279
where: short stacking energy: -202.710
Base-Backbone interact. energy: -0.212
local terms energy: -197.047148
where:
bonds (distance) C4'-P energy: -41.164
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -37.110
flat angles P-C4'-P energy: -30.154
tors. eta vs tors. theta energy: -52.208
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: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -615.225435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.225435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.225435 (E_RNA)
where:
Base-Base interactions energy: -408.450
where: short stacking energy: -193.054
Base-Backbone interact. energy: -0.704
local terms energy: -206.071251
where:
bonds (distance) C4'-P energy: -45.540
bonds (distance) P-C4' energy: -33.138
flat angles C4'-P-C4' energy: -44.901
flat angles P-C4'-P energy: -34.075
tors. eta vs tors. theta energy: -48.418
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: 7, replica: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -522.578931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.578931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.578931 (E_RNA)
where:
Base-Base interactions energy: -328.020
where: short stacking energy: -161.493
Base-Backbone interact. energy: 1.866
local terms energy: -196.425199
where:
bonds (distance) C4'-P energy: -35.899
bonds (distance) P-C4' energy: -41.179
flat angles C4'-P-C4' energy: -45.862
flat angles P-C4'-P energy: -30.870
tors. eta vs tors. theta energy: -42.615
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: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -428.787756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.787756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.787756 (E_RNA)
where:
Base-Base interactions energy: -271.807
where: short stacking energy: -128.067
Base-Backbone interact. energy: -0.726
local terms energy: -156.254679
where:
bonds (distance) C4'-P energy: -31.588
bonds (distance) P-C4' energy: -36.693
flat angles C4'-P-C4' energy: -43.028
flat angles P-C4'-P energy: -18.150
tors. eta vs tors. theta energy: -26.796
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: 9, replica: 8
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -302.114514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.114514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.114514 (E_RNA)
where:
Base-Base interactions energy: -161.260
where: short stacking energy: -97.016
Base-Backbone interact. energy: 0.370
local terms energy: -141.224718
where:
bonds (distance) C4'-P energy: -44.165
bonds (distance) P-C4' energy: -41.211
flat angles C4'-P-C4' energy: -32.452
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -9.088
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: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -188.972475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.972475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.972475 (E_RNA)
where:
Base-Base interactions energy: -69.281
where: short stacking energy: -57.560
Base-Backbone interact. energy: -1.305
local terms energy: -118.386550
where:
bonds (distance) C4'-P energy: -27.353
bonds (distance) P-C4' energy: -38.608
flat angles C4'-P-C4' energy: -37.080
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -0.237
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: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -719.514674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.514674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.514674 (E_RNA)
where:
Base-Base interactions energy: -485.157
where: short stacking energy: -215.918
Base-Backbone interact. energy: -1.785
local terms energy: -232.573174
where:
bonds (distance) C4'-P energy: -45.063
bonds (distance) P-C4' energy: -40.507
flat angles C4'-P-C4' energy: -48.582
flat angles P-C4'-P energy: -37.914
tors. eta vs tors. theta energy: -60.508
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: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -702.094426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.094426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.094426 (E_RNA)
where:
Base-Base interactions energy: -479.490
where: short stacking energy: -205.952
Base-Backbone interact. energy: -0.304
local terms energy: -222.301071
where:
bonds (distance) C4'-P energy: -42.958
bonds (distance) P-C4' energy: -42.974
flat angles C4'-P-C4' energy: -48.717
flat angles P-C4'-P energy: -31.513
tors. eta vs tors. theta energy: -56.140
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: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -717.091815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.091815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.091815 (E_RNA)
where:
Base-Base interactions energy: -507.319
where: short stacking energy: -189.940
Base-Backbone interact. energy: -1.575
local terms energy: -208.198658
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -39.235
flat angles C4'-P-C4' energy: -45.447
flat angles P-C4'-P energy: -27.049
tors. eta vs tors. theta energy: -61.604
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: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -634.285989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.285989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.285989 (E_RNA)
where:
Base-Base interactions energy: -412.515
where: short stacking energy: -177.659
Base-Backbone interact. energy: -0.040
local terms energy: -221.731621
where:
bonds (distance) C4'-P energy: -44.534
bonds (distance) P-C4' energy: -41.541
flat angles C4'-P-C4' energy: -55.357
flat angles P-C4'-P energy: -30.005
tors. eta vs tors. theta energy: -50.294
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: 1
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -602.898770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.898770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.898770 (E_RNA)
where:
Base-Base interactions energy: -396.245
where: short stacking energy: -186.036
Base-Backbone interact. energy: -0.267
local terms energy: -206.386947
where:
bonds (distance) C4'-P energy: -45.405
bonds (distance) P-C4' energy: -35.431
flat angles C4'-P-C4' energy: -46.368
flat angles P-C4'-P energy: -31.220
tors. eta vs tors. theta energy: -47.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -613.548095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.548095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.548095 (E_RNA)
where:
Base-Base interactions energy: -425.141
where: short stacking energy: -196.941
Base-Backbone interact. energy: 1.143
local terms energy: -189.549658
where:
bonds (distance) C4'-P energy: -30.098
bonds (distance) P-C4' energy: -33.988
flat angles C4'-P-C4' energy: -47.771
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -47.890
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: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -515.744873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.744873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.744873 (E_RNA)
where:
Base-Base interactions energy: -338.932
where: short stacking energy: -150.990
Base-Backbone interact. energy: 0.531
local terms energy: -177.343192
where:
bonds (distance) C4'-P energy: -35.681
bonds (distance) P-C4' energy: -35.985
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -28.735
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: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -424.730180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.730180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.730180 (E_RNA)
where:
Base-Base interactions energy: -257.489
where: short stacking energy: -128.283
Base-Backbone interact. energy: -1.816
local terms energy: -165.425541
where:
bonds (distance) C4'-P energy: -36.424
bonds (distance) P-C4' energy: -44.489
flat angles C4'-P-C4' energy: -33.852
flat angles P-C4'-P energy: -27.028
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -310.183940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.183940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.183940 (E_RNA)
where:
Base-Base interactions energy: -161.548
where: short stacking energy: -88.264
Base-Backbone interact. energy: -1.230
local terms energy: -147.406341
where:
bonds (distance) C4'-P energy: -36.289
bonds (distance) P-C4' energy: -34.163
flat angles C4'-P-C4' energy: -35.921
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -202.326185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.326185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.326185 (E_RNA)
where:
Base-Base interactions energy: -77.756
where: short stacking energy: -77.440
Base-Backbone interact. energy: 3.075
local terms energy: -127.645456
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -42.508
flat angles C4'-P-C4' energy: -30.963
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -0.962
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: 1, replica: 4
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -725.931228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.931228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.931228 (E_RNA)
where:
Base-Base interactions energy: -490.828
where: short stacking energy: -217.432
Base-Backbone interact. energy: -2.105
local terms energy: -232.997549
where:
bonds (distance) C4'-P energy: -44.343
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -46.931
flat angles P-C4'-P energy: -35.506
tors. eta vs tors. theta energy: -58.137
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: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -702.401462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.401462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.401462 (E_RNA)
where:
Base-Base interactions energy: -476.589
where: short stacking energy: -202.851
Base-Backbone interact. energy: -0.483
local terms energy: -225.329623
where:
bonds (distance) C4'-P energy: -44.424
bonds (distance) P-C4' energy: -50.299
flat angles C4'-P-C4' energy: -42.521
flat angles P-C4'-P energy: -31.716
tors. eta vs tors. theta energy: -56.369
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: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -730.756436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.756436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.756436 (E_RNA)
where:
Base-Base interactions energy: -526.383
where: short stacking energy: -208.393
Base-Backbone interact. energy: -1.384
local terms energy: -202.988954
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -38.389
flat angles C4'-P-C4' energy: -44.102
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -65.286
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: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -674.617163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.617163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.617163 (E_RNA)
where:
Base-Base interactions energy: -460.611
where: short stacking energy: -212.326
Base-Backbone interact. energy: -0.401
local terms energy: -213.604612
where:
bonds (distance) C4'-P energy: -39.494
bonds (distance) P-C4' energy: -46.687
flat angles C4'-P-C4' energy: -39.988
flat angles P-C4'-P energy: -23.732
tors. eta vs tors. theta energy: -63.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -562.790278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.790278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.790278 (E_RNA)
where:
Base-Base interactions energy: -370.035
where: short stacking energy: -172.246
Base-Backbone interact. energy: 1.031
local terms energy: -193.786090
where:
bonds (distance) C4'-P energy: -39.333
bonds (distance) P-C4' energy: -47.252
flat angles C4'-P-C4' energy: -42.648
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -43.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -578.098166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.098166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.098166 (E_RNA)
where:
Base-Base interactions energy: -371.827
where: short stacking energy: -171.255
Base-Backbone interact. energy: -1.597
local terms energy: -204.674157
where:
bonds (distance) C4'-P energy: -35.433
bonds (distance) P-C4' energy: -42.895
flat angles C4'-P-C4' energy: -50.974
flat angles P-C4'-P energy: -25.068
tors. eta vs tors. theta energy: -50.305
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: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -547.811286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.811286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.811286 (E_RNA)
where:
Base-Base interactions energy: -359.599
where: short stacking energy: -149.982
Base-Backbone interact. energy: -0.680
local terms energy: -187.532286
where:
bonds (distance) C4'-P energy: -42.803
bonds (distance) P-C4' energy: -39.823
flat angles C4'-P-C4' energy: -34.430
flat angles P-C4'-P energy: -36.858
tors. eta vs tors. theta energy: -33.618
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: 10
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -423.006787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.006787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.006787 (E_RNA)
where:
Base-Base interactions energy: -273.480
where: short stacking energy: -128.767
Base-Backbone interact. energy: 5.403
local terms energy: -154.929507
where:
bonds (distance) C4'-P energy: -40.155
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -40.311
flat angles P-C4'-P energy: -23.822
tors. eta vs tors. theta energy: -20.270
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: 9, replica: 8
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -314.423605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.423605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.423605 (E_RNA)
where:
Base-Base interactions energy: -165.557
where: short stacking energy: -99.822
Base-Backbone interact. energy: 1.313
local terms energy: -150.179825
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -36.727
flat angles C4'-P-C4' energy: -34.273
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -181.374213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.374213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.374213 (E_RNA)
where:
Base-Base interactions energy: -77.456
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.034
local terms energy: -103.883428
where:
bonds (distance) C4'-P energy: -30.401
bonds (distance) P-C4' energy: -37.674
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -2.100
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: 4
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -740.681794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.681794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.681794 (E_RNA)
where:
Base-Base interactions energy: -501.640
where: short stacking energy: -222.423
Base-Backbone interact. energy: -0.624
local terms energy: -238.418530
where:
bonds (distance) C4'-P energy: -39.453
bonds (distance) P-C4' energy: -47.756
flat angles C4'-P-C4' energy: -52.900
flat angles P-C4'-P energy: -36.448
tors. eta vs tors. theta energy: -61.863
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: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -746.243297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.243297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.243297 (E_RNA)
where:
Base-Base interactions energy: -527.959
where: short stacking energy: -210.488
Base-Backbone interact. energy: -0.130
local terms energy: -218.154360
where:
bonds (distance) C4'-P energy: -35.798
bonds (distance) P-C4' energy: -49.158
flat angles C4'-P-C4' energy: -41.658
flat angles P-C4'-P energy: -30.351
tors. eta vs tors. theta energy: -61.189
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: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -697.207274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.207274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.207274 (E_RNA)
where:
Base-Base interactions energy: -469.866
where: short stacking energy: -192.398
Base-Backbone interact. energy: -0.564
local terms energy: -226.776710
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -47.597
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -36.589
tors. eta vs tors. theta energy: -55.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -672.367071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.367071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.367071 (E_RNA)
where:
Base-Base interactions energy: -448.485
where: short stacking energy: -204.419
Base-Backbone interact. energy: -3.574
local terms energy: -220.308208
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -41.080
flat angles C4'-P-C4' energy: -43.488
flat angles P-C4'-P energy: -30.124
tors. eta vs tors. theta energy: -62.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -573.208936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.208936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.208936 (E_RNA)
where:
Base-Base interactions energy: -380.077
where: short stacking energy: -174.260
Base-Backbone interact. energy: -1.548
local terms energy: -191.583822
where:
bonds (distance) C4'-P energy: -40.554
bonds (distance) P-C4' energy: -46.405
flat angles C4'-P-C4' energy: -42.500
flat angles P-C4'-P energy: -24.873
tors. eta vs tors. theta energy: -37.252
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: 6, replica: 1
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -574.238912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.238912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.238912 (E_RNA)
where:
Base-Base interactions energy: -378.588
where: short stacking energy: -170.618
Base-Backbone interact. energy: -1.918
local terms energy: -193.732559
where:
bonds (distance) C4'-P energy: -48.534
bonds (distance) P-C4' energy: -38.881
flat angles C4'-P-C4' energy: -35.787
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -45.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -544.283423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.283423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.283423 (E_RNA)
where:
Base-Base interactions energy: -363.959
where: short stacking energy: -170.039
Base-Backbone interact. energy: -0.877
local terms energy: -179.448352
where:
bonds (distance) C4'-P energy: -36.850
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -29.387
tors. eta vs tors. theta energy: -40.809
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: 10
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -420.739931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.739931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.739931 (E_RNA)
where:
Base-Base interactions energy: -272.185
where: short stacking energy: -117.849
Base-Backbone interact. energy: -0.765
local terms energy: -147.790525
where:
bonds (distance) C4'-P energy: -25.729
bonds (distance) P-C4' energy: -43.162
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -30.269
tors. eta vs tors. theta energy: -20.516
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: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -338.419240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.419240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.419240 (E_RNA)
where:
Base-Base interactions energy: -189.146
where: short stacking energy: -102.110
Base-Backbone interact. energy: -0.808
local terms energy: -148.464873
where:
bonds (distance) C4'-P energy: -38.394
bonds (distance) P-C4' energy: -34.555
flat angles C4'-P-C4' energy: -41.922
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -19.084
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: 10, replica: 9
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -205.694178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.694178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.694178 (E_RNA)
where:
Base-Base interactions energy: -84.997
where: short stacking energy: -79.797
Base-Backbone interact. energy: -2.157
local terms energy: -118.540416
where:
bonds (distance) C4'-P energy: -35.253
bonds (distance) P-C4' energy: -32.102
flat angles C4'-P-C4' energy: -31.069
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -759.730434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.730434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.730434 (E_RNA)
where:
Base-Base interactions energy: -529.350
where: short stacking energy: -218.921
Base-Backbone interact. energy: 0.723
local terms energy: -231.103458
where:
bonds (distance) C4'-P energy: -45.970
bonds (distance) P-C4' energy: -43.573
flat angles C4'-P-C4' energy: -45.465
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -68.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -719.687547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.687547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.687547 (E_RNA)
where:
Base-Base interactions energy: -487.213
where: short stacking energy: -204.554
Base-Backbone interact. energy: -0.611
local terms energy: -231.863269
where:
bonds (distance) C4'-P energy: -46.592
bonds (distance) P-C4' energy: -42.274
flat angles C4'-P-C4' energy: -41.846
flat angles P-C4'-P energy: -42.175
tors. eta vs tors. theta energy: -58.976
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: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -695.068469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.068469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.068469 (E_RNA)
where:
Base-Base interactions energy: -473.256
where: short stacking energy: -212.133
Base-Backbone interact. energy: -1.321
local terms energy: -220.491213
where:
bonds (distance) C4'-P energy: -41.558
bonds (distance) P-C4' energy: -40.017
flat angles C4'-P-C4' energy: -51.222
flat angles P-C4'-P energy: -30.202
tors. eta vs tors. theta energy: -57.492
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: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -675.042439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.042439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.042439 (E_RNA)
where:
Base-Base interactions energy: -464.502
where: short stacking energy: -197.417
Base-Backbone interact. energy: 0.701
local terms energy: -211.241866
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -46.573
flat angles P-C4'-P energy: -30.824
tors. eta vs tors. theta energy: -59.086
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: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -624.404686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.404686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.404686 (E_RNA)
where:
Base-Base interactions energy: -409.692
where: short stacking energy: -189.647
Base-Backbone interact. energy: 5.498
local terms energy: -220.211241
where:
bonds (distance) C4'-P energy: -44.546
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -43.230
flat angles P-C4'-P energy: -32.792
tors. eta vs tors. theta energy: -58.627
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: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -558.116830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.116830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.116830 (E_RNA)
where:
Base-Base interactions energy: -372.692
where: short stacking energy: -167.380
Base-Backbone interact. energy: -0.992
local terms energy: -184.432589
where:
bonds (distance) C4'-P energy: -36.193
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -27.923
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: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -535.400364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.400364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.400364 (E_RNA)
where:
Base-Base interactions energy: -339.147
where: short stacking energy: -151.784
Base-Backbone interact. energy: -1.366
local terms energy: -194.887066
where:
bonds (distance) C4'-P energy: -41.871
bonds (distance) P-C4' energy: -43.460
flat angles C4'-P-C4' energy: -34.124
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -45.765
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: 10
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -400.007210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.007210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.007210 (E_RNA)
where:
Base-Base interactions energy: -236.784
where: short stacking energy: -113.385
Base-Backbone interact. energy: -1.357
local terms energy: -161.866076
where:
bonds (distance) C4'-P energy: -35.119
bonds (distance) P-C4' energy: -47.059
flat angles C4'-P-C4' energy: -40.379
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: -11.258
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: 166
Temperature: 1.300000
Total energy: -332.874267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.874267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.874267 (E_RNA)
where:
Base-Base interactions energy: -190.503
where: short stacking energy: -103.413
Base-Backbone interact. energy: 0.743
local terms energy: -143.114717
where:
bonds (distance) C4'-P energy: -28.186
bonds (distance) P-C4' energy: -44.344
flat angles C4'-P-C4' energy: -30.186
flat angles P-C4'-P energy: -27.201
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -209.425199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.425199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.425199 (E_RNA)
where:
Base-Base interactions energy: -69.042
where: short stacking energy: -56.847
Base-Backbone interact. energy: -0.625
local terms energy: -139.758671
where:
bonds (distance) C4'-P energy: -38.073
bonds (distance) P-C4' energy: -39.520
flat angles C4'-P-C4' energy: -33.757
flat angles P-C4'-P energy: -29.075
tors. eta vs tors. theta energy: 0.667
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: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -760.696525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.696525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.696525 (E_RNA)
where:
Base-Base interactions energy: -520.005
where: short stacking energy: -220.560
Base-Backbone interact. energy: -0.470
local terms energy: -240.220910
where:
bonds (distance) C4'-P energy: -43.056
bonds (distance) P-C4' energy: -47.875
flat angles C4'-P-C4' energy: -47.094
flat angles P-C4'-P energy: -37.256
tors. eta vs tors. theta energy: -64.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -714.937176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.937176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.937176 (E_RNA)
where:
Base-Base interactions energy: -492.559
where: short stacking energy: -215.891
Base-Backbone interact. energy: -1.137
local terms energy: -221.240483
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -39.746
flat angles C4'-P-C4' energy: -49.033
flat angles P-C4'-P energy: -31.144
tors. eta vs tors. theta energy: -60.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -675.207344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.207344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.207344 (E_RNA)
where:
Base-Base interactions energy: -453.750
where: short stacking energy: -211.256
Base-Backbone interact. energy: -0.312
local terms energy: -221.145580
where:
bonds (distance) C4'-P energy: -43.585
bonds (distance) P-C4' energy: -43.971
flat angles C4'-P-C4' energy: -43.825
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: -65.675
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: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -668.273966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.273966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.273966 (E_RNA)
where:
Base-Base interactions energy: -454.558
where: short stacking energy: -187.423
Base-Backbone interact. energy: -0.271
local terms energy: -213.444696
where:
bonds (distance) C4'-P energy: -40.289
bonds (distance) P-C4' energy: -33.150
flat angles C4'-P-C4' energy: -53.704
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: -54.945
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: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -641.535484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.535484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.535484 (E_RNA)
where:
Base-Base interactions energy: -428.393
where: short stacking energy: -187.005
Base-Backbone interact. energy: -0.324
local terms energy: -212.818549
where:
bonds (distance) C4'-P energy: -36.801
bonds (distance) P-C4' energy: -45.328
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -30.300
tors. eta vs tors. theta energy: -54.454
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: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -534.002398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.002398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.002398 (E_RNA)
where:
Base-Base interactions energy: -359.827
where: short stacking energy: -152.346
Base-Backbone interact. energy: -1.258
local terms energy: -172.916742
where:
bonds (distance) C4'-P energy: -30.407
bonds (distance) P-C4' energy: -40.937
flat angles C4'-P-C4' energy: -39.506
flat angles P-C4'-P energy: -29.491
tors. eta vs tors. theta energy: -32.575
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: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -525.312435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.312435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.312435 (E_RNA)
where:
Base-Base interactions energy: -357.803
where: short stacking energy: -164.054
Base-Backbone interact. energy: -1.120
local terms energy: -166.389263
where:
bonds (distance) C4'-P energy: -31.483
bonds (distance) P-C4' energy: -43.791
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -27.296
tors. eta vs tors. theta energy: -34.632
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: 8, replica: 10
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -366.484667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.484667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.484667 (E_RNA)
where:
Base-Base interactions energy: -222.800
where: short stacking energy: -112.302
Base-Backbone interact. energy: -0.661
local terms energy: -143.023860
where:
bonds (distance) C4'-P energy: -32.297
bonds (distance) P-C4' energy: -31.794
flat angles C4'-P-C4' energy: -34.227
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -16.260
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: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -329.822689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.822689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.822689 (E_RNA)
where:
Base-Base interactions energy: -184.510
where: short stacking energy: -97.100
Base-Backbone interact. energy: -1.250
local terms energy: -144.062421
where:
bonds (distance) C4'-P energy: -42.002
bonds (distance) P-C4' energy: -40.224
flat angles C4'-P-C4' energy: -30.938
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -5.735
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: 9
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -197.251791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.251791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.251791 (E_RNA)
where:
Base-Base interactions energy: -66.175
where: short stacking energy: -63.981
Base-Backbone interact. energy: -0.803
local terms energy: -130.272892
where:
bonds (distance) C4'-P energy: -37.222
bonds (distance) P-C4' energy: -43.553
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -1.293
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: 1, replica: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -740.225400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.225400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.225400 (E_RNA)
where:
Base-Base interactions energy: -529.093
where: short stacking energy: -217.396
Base-Backbone interact. energy: 0.344
local terms energy: -211.476726
where:
bonds (distance) C4'-P energy: -36.748
bonds (distance) P-C4' energy: -48.934
flat angles C4'-P-C4' energy: -41.599
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: -59.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -695.648136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.648136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.648136 (E_RNA)
where:
Base-Base interactions energy: -467.574
where: short stacking energy: -202.671
Base-Backbone interact. energy: -0.674
local terms energy: -227.400103
where:
bonds (distance) C4'-P energy: -46.932
bonds (distance) P-C4' energy: -36.880
flat angles C4'-P-C4' energy: -49.504
flat angles P-C4'-P energy: -34.307
tors. eta vs tors. theta energy: -59.776
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: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -694.514744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.514744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.514744 (E_RNA)
where:
Base-Base interactions energy: -471.652
where: short stacking energy: -201.274
Base-Backbone interact. energy: -0.193
local terms energy: -222.668900
where:
bonds (distance) C4'-P energy: -44.354
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -47.630
flat angles P-C4'-P energy: -36.447
tors. eta vs tors. theta energy: -57.828
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: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -654.261112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.261112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.261112 (E_RNA)
where:
Base-Base interactions energy: -443.442
where: short stacking energy: -194.794
Base-Backbone interact. energy: -0.985
local terms energy: -209.833905
where:
bonds (distance) C4'-P energy: -36.089
bonds (distance) P-C4' energy: -41.767
flat angles C4'-P-C4' energy: -43.601
flat angles P-C4'-P energy: -31.167
tors. eta vs tors. theta energy: -57.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -643.297534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.297534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.297534 (E_RNA)
where:
Base-Base interactions energy: -434.649
where: short stacking energy: -206.943
Base-Backbone interact. energy: -1.095
local terms energy: -207.554262
where:
bonds (distance) C4'-P energy: -29.830
bonds (distance) P-C4' energy: -44.512
flat angles C4'-P-C4' energy: -46.930
flat angles P-C4'-P energy: -26.377
tors. eta vs tors. theta energy: -59.906
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: 7
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -545.266670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.266670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.266670 (E_RNA)
where:
Base-Base interactions energy: -353.246
where: short stacking energy: -178.938
Base-Backbone interact. energy: 0.495
local terms energy: -192.515104
where:
bonds (distance) C4'-P energy: -42.161
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -36.036
flat angles P-C4'-P energy: -25.723
tors. eta vs tors. theta energy: -45.919
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: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -373.550822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.550822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.550822 (E_RNA)
where:
Base-Base interactions energy: -214.497
where: short stacking energy: -113.882
Base-Backbone interact. energy: -0.245
local terms energy: -158.808572
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -34.331
flat angles C4'-P-C4' energy: -43.115
flat angles P-C4'-P energy: -25.720
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -459.371964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.371964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.371964 (E_RNA)
where:
Base-Base interactions energy: -301.584
where: short stacking energy: -132.646
Base-Backbone interact. energy: -0.518
local terms energy: -157.269539
where:
bonds (distance) C4'-P energy: -31.954
bonds (distance) P-C4' energy: -37.615
flat angles C4'-P-C4' energy: -39.551
flat angles P-C4'-P energy: -25.674
tors. eta vs tors. theta energy: -22.475
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: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -335.472916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.472916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.472916 (E_RNA)
where:
Base-Base interactions energy: -190.202
where: short stacking energy: -105.728
Base-Backbone interact. energy: -1.656
local terms energy: -143.615741
where:
bonds (distance) C4'-P energy: -34.862
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -36.343
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -19.494
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: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -202.261841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.261841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.261841 (E_RNA)
where:
Base-Base interactions energy: -84.402
where: short stacking energy: -70.649
Base-Backbone interact. energy: -0.469
local terms energy: -117.390707
where:
bonds (distance) C4'-P energy: -31.608
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -29.283
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -6.736
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: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -746.881536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.881536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.881536 (E_RNA)
where:
Base-Base interactions energy: -524.030
where: short stacking energy: -215.425
Base-Backbone interact. energy: -0.636
local terms energy: -222.214688
where:
bonds (distance) C4'-P energy: -44.737
bonds (distance) P-C4' energy: -35.414
flat angles C4'-P-C4' energy: -48.665
flat angles P-C4'-P energy: -34.876
tors. eta vs tors. theta energy: -58.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -704.340620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.340620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.340620 (E_RNA)
where:
Base-Base interactions energy: -472.973
where: short stacking energy: -206.440
Base-Backbone interact. energy: -2.129
local terms energy: -229.238371
where:
bonds (distance) C4'-P energy: -42.452
bonds (distance) P-C4' energy: -46.338
flat angles C4'-P-C4' energy: -45.746
flat angles P-C4'-P energy: -38.617
tors. eta vs tors. theta energy: -56.086
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: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -698.276975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.276975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.276975 (E_RNA)
where:
Base-Base interactions energy: -469.058
where: short stacking energy: -205.739
Base-Backbone interact. energy: -0.137
local terms energy: -229.081754
where:
bonds (distance) C4'-P energy: -44.218
bonds (distance) P-C4' energy: -42.921
flat angles C4'-P-C4' energy: -47.585
flat angles P-C4'-P energy: -33.631
tors. eta vs tors. theta energy: -60.728
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: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -653.318998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.318998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.318998 (E_RNA)
where:
Base-Base interactions energy: -432.320
where: short stacking energy: -200.337
Base-Backbone interact. energy: -1.108
local terms energy: -219.891173
where:
bonds (distance) C4'-P energy: -44.203
bonds (distance) P-C4' energy: -45.737
flat angles C4'-P-C4' energy: -47.903
flat angles P-C4'-P energy: -29.693
tors. eta vs tors. theta energy: -52.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -650.302047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.302047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.302047 (E_RNA)
where:
Base-Base interactions energy: -449.764
where: short stacking energy: -191.263
Base-Backbone interact. energy: 0.639
local terms energy: -201.176289
where:
bonds (distance) C4'-P energy: -42.083
bonds (distance) P-C4' energy: -34.917
flat angles C4'-P-C4' energy: -39.226
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -51.994
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: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -561.421900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.421900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.421900 (E_RNA)
where:
Base-Base interactions energy: -379.322
where: short stacking energy: -169.145
Base-Backbone interact. energy: -0.566
local terms energy: -181.533698
where:
bonds (distance) C4'-P energy: -42.734
bonds (distance) P-C4' energy: -37.889
flat angles C4'-P-C4' energy: -36.867
flat angles P-C4'-P energy: -25.340
tors. eta vs tors. theta energy: -38.704
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: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -401.607400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.607400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.607400 (E_RNA)
where:
Base-Base interactions energy: -241.870
where: short stacking energy: -117.427
Base-Backbone interact. energy: 0.314
local terms energy: -160.050763
where:
bonds (distance) C4'-P energy: -40.851
bonds (distance) P-C4' energy: -36.537
flat angles C4'-P-C4' energy: -30.654
flat angles P-C4'-P energy: -25.807
tors. eta vs tors. theta energy: -26.201
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: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -497.051656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.051656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.051656 (E_RNA)
where:
Base-Base interactions energy: -330.103
where: short stacking energy: -143.707
Base-Backbone interact. energy: 5.551
local terms energy: -172.499015
where:
bonds (distance) C4'-P energy: -30.761
bonds (distance) P-C4' energy: -35.166
flat angles C4'-P-C4' energy: -41.155
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -37.211
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: 9, replica: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -364.728841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.728841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.728841 (E_RNA)
where:
Base-Base interactions energy: -217.717
where: short stacking energy: -115.836
Base-Backbone interact. energy: 1.423
local terms energy: -148.434352
where:
bonds (distance) C4'-P energy: -38.534
bonds (distance) P-C4' energy: -33.206
flat angles C4'-P-C4' energy: -37.888
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -203.813280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.813280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.813280 (E_RNA)
where:
Base-Base interactions energy: -64.230
where: short stacking energy: -55.458
Base-Backbone interact. energy: -0.020
local terms energy: -139.563984
where:
bonds (distance) C4'-P energy: -43.423
bonds (distance) P-C4' energy: -39.921
flat angles C4'-P-C4' energy: -32.440
flat angles P-C4'-P energy: -22.571
tors. eta vs tors. theta energy: -1.210
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: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -728.416660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.416660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.416660 (E_RNA)
where:
Base-Base interactions energy: -502.525
where: short stacking energy: -204.409
Base-Backbone interact. energy: -1.582
local terms energy: -224.309201
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -47.672
flat angles C4'-P-C4' energy: -49.341
flat angles P-C4'-P energy: -30.523
tors. eta vs tors. theta energy: -51.772
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: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -711.444425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.444425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.444425 (E_RNA)
where:
Base-Base interactions energy: -485.597
where: short stacking energy: -214.268
Base-Backbone interact. energy: -1.790
local terms energy: -224.057889
where:
bonds (distance) C4'-P energy: -40.481
bonds (distance) P-C4' energy: -41.328
flat angles C4'-P-C4' energy: -45.795
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -55.616
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: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -700.139215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.139215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.139215 (E_RNA)
where:
Base-Base interactions energy: -474.830
where: short stacking energy: -204.632
Base-Backbone interact. energy: -0.626
local terms energy: -224.682805
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -42.828
flat angles C4'-P-C4' energy: -50.817
flat angles P-C4'-P energy: -28.483
tors. eta vs tors. theta energy: -58.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -644.975996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.975996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.975996 (E_RNA)
where:
Base-Base interactions energy: -431.509
where: short stacking energy: -201.167
Base-Backbone interact. energy: -0.467
local terms energy: -212.999358
where:
bonds (distance) C4'-P energy: -33.208
bonds (distance) P-C4' energy: -42.589
flat angles C4'-P-C4' energy: -47.214
flat angles P-C4'-P energy: -30.124
tors. eta vs tors. theta energy: -59.865
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: 5, replica: 2
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -652.645939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.645939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.645939 (E_RNA)
where:
Base-Base interactions energy: -444.323
where: short stacking energy: -181.269
Base-Backbone interact. energy: -0.847
local terms energy: -207.475671
where:
bonds (distance) C4'-P energy: -38.060
bonds (distance) P-C4' energy: -39.647
flat angles C4'-P-C4' energy: -42.298
flat angles P-C4'-P energy: -28.169
tors. eta vs tors. theta energy: -59.301
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: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -563.811042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.811042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.811042 (E_RNA)
where:
Base-Base interactions energy: -377.516
where: short stacking energy: -182.157
Base-Backbone interact. energy: -1.921
local terms energy: -184.374211
where:
bonds (distance) C4'-P energy: -38.537
bonds (distance) P-C4' energy: -34.298
flat angles C4'-P-C4' energy: -48.121
flat angles P-C4'-P energy: -14.967
tors. eta vs tors. theta energy: -48.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -490.874006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.874006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.874006 (E_RNA)
where:
Base-Base interactions energy: -315.919
where: short stacking energy: -125.532
Base-Backbone interact. energy: 0.181
local terms energy: -175.136244
where:
bonds (distance) C4'-P energy: -47.006
bonds (distance) P-C4' energy: -37.920
flat angles C4'-P-C4' energy: -46.690
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -17.688
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: 8, replica: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -363.283709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.283709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.283709 (E_RNA)
where:
Base-Base interactions energy: -215.163
where: short stacking energy: -104.898
Base-Backbone interact. energy: 1.231
local terms energy: -149.351802
where:
bonds (distance) C4'-P energy: -40.419
bonds (distance) P-C4' energy: -44.207
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -16.125
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: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -360.376615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.376615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.376615 (E_RNA)
where:
Base-Base interactions energy: -202.250
where: short stacking energy: -103.804
Base-Backbone interact. energy: -0.973
local terms energy: -157.153572
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -37.615
flat angles P-C4'-P energy: -26.130
tors. eta vs tors. theta energy: -16.350
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: 10, replica: 9
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -213.181202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.181202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.181202 (E_RNA)
where:
Base-Base interactions energy: -95.582
where: short stacking energy: -75.836
Base-Backbone interact. energy: -0.769
local terms energy: -116.829888
where:
bonds (distance) C4'-P energy: -31.629
bonds (distance) P-C4' energy: -31.069
flat angles C4'-P-C4' energy: -26.318
flat angles P-C4'-P energy: -24.477
tors. eta vs tors. theta energy: -3.338
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: 1, replica: 6
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -753.015981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.015981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.015981 (E_RNA)
where:
Base-Base interactions energy: -535.565
where: short stacking energy: -221.973
Base-Backbone interact. energy: -2.347
local terms energy: -215.104657
where:
bonds (distance) C4'-P energy: -39.959
bonds (distance) P-C4' energy: -31.640
flat angles C4'-P-C4' energy: -49.684
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -69.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -703.283058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.283058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.283058 (E_RNA)
where:
Base-Base interactions energy: -482.414
where: short stacking energy: -214.966
Base-Backbone interact. energy: 3.090
local terms energy: -223.958892
where:
bonds (distance) C4'-P energy: -35.484
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -50.660
flat angles P-C4'-P energy: -33.950
tors. eta vs tors. theta energy: -62.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -705.049445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.049445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.049445 (E_RNA)
where:
Base-Base interactions energy: -487.053
where: short stacking energy: -204.164
Base-Backbone interact. energy: 4.265
local terms energy: -222.261682
where:
bonds (distance) C4'-P energy: -37.921
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -50.730
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -58.320
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: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -668.214002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.214002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.214002 (E_RNA)
where:
Base-Base interactions energy: -445.578
where: short stacking energy: -197.179
Base-Backbone interact. energy: -0.825
local terms energy: -221.811794
where:
bonds (distance) C4'-P energy: -46.962
bonds (distance) P-C4' energy: -38.452
flat angles C4'-P-C4' energy: -45.111
flat angles P-C4'-P energy: -33.289
tors. eta vs tors. theta energy: -57.999
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: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -643.867058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.867058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.867058 (E_RNA)
where:
Base-Base interactions energy: -439.645
where: short stacking energy: -195.600
Base-Backbone interact. energy: -1.412
local terms energy: -202.810173
where:
bonds (distance) C4'-P energy: -43.531
bonds (distance) P-C4' energy: -41.854
flat angles C4'-P-C4' energy: -42.886
flat angles P-C4'-P energy: -22.946
tors. eta vs tors. theta energy: -51.593
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: 7
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -552.609320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.609320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.609320 (E_RNA)
where:
Base-Base interactions energy: -373.780
where: short stacking energy: -179.361
Base-Backbone interact. energy: -1.390
local terms energy: -177.439601
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -34.127
flat angles C4'-P-C4' energy: -43.894
flat angles P-C4'-P energy: -25.560
tors. eta vs tors. theta energy: -41.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -507.923006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.923006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.923006 (E_RNA)
where:
Base-Base interactions energy: -338.793
where: short stacking energy: -155.619
Base-Backbone interact. energy: 2.074
local terms energy: -171.204330
where:
bonds (distance) C4'-P energy: -26.878
bonds (distance) P-C4' energy: -47.024
flat angles C4'-P-C4' energy: -45.916
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -26.350
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: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -369.095928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.095928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.095928 (E_RNA)
where:
Base-Base interactions energy: -207.379
where: short stacking energy: -104.196
Base-Backbone interact. energy: -1.674
local terms energy: -160.042846
where:
bonds (distance) C4'-P energy: -30.905
bonds (distance) P-C4' energy: -45.435
flat angles C4'-P-C4' energy: -41.393
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -11.732
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: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -329.050982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.050982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.050982 (E_RNA)
where:
Base-Base interactions energy: -179.605
where: short stacking energy: -95.271
Base-Backbone interact. energy: -0.461
local terms energy: -148.985528
where:
bonds (distance) C4'-P energy: -36.161
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -17.570
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: 9
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -206.361860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.361860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.361860 (E_RNA)
where:
Base-Base interactions energy: -66.706
where: short stacking energy: -63.998
Base-Backbone interact. energy: -0.377
local terms energy: -139.278446
where:
bonds (distance) C4'-P energy: -38.236
bonds (distance) P-C4' energy: -38.166
flat angles C4'-P-C4' energy: -34.112
flat angles P-C4'-P energy: -27.185
tors. eta vs tors. theta energy: -1.580
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: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -753.377119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.377119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.377119 (E_RNA)
where:
Base-Base interactions energy: -531.115
where: short stacking energy: -218.837
Base-Backbone interact. energy: -0.624
local terms energy: -221.638811
where:
bonds (distance) C4'-P energy: -36.478
bonds (distance) P-C4' energy: -37.897
flat angles C4'-P-C4' energy: -49.770
flat angles P-C4'-P energy: -32.617
tors. eta vs tors. theta energy: -64.877
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: 2, replica: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -704.496873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.496873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.496873 (E_RNA)
where:
Base-Base interactions energy: -481.281
where: short stacking energy: -219.119
Base-Backbone interact. energy: -0.387
local terms energy: -222.829624
where:
bonds (distance) C4'-P energy: -37.195
bonds (distance) P-C4' energy: -44.050
flat angles C4'-P-C4' energy: -48.975
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -61.304
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: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -718.215646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.215646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.215646 (E_RNA)
where:
Base-Base interactions energy: -492.325
where: short stacking energy: -229.886
Base-Backbone interact. energy: -2.199
local terms energy: -223.691710
where:
bonds (distance) C4'-P energy: -39.068
bonds (distance) P-C4' energy: -46.984
flat angles C4'-P-C4' energy: -49.486
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -63.560
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: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -680.596102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.596102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.596102 (E_RNA)
where:
Base-Base interactions energy: -466.256
where: short stacking energy: -202.238
Base-Backbone interact. energy: -0.629
local terms energy: -213.711303
where:
bonds (distance) C4'-P energy: -37.373
bonds (distance) P-C4' energy: -47.691
flat angles C4'-P-C4' energy: -44.209
flat angles P-C4'-P energy: -26.079
tors. eta vs tors. theta energy: -58.358
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: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -581.799837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.799837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.799837 (E_RNA)
where:
Base-Base interactions energy: -384.757
where: short stacking energy: -173.810
Base-Backbone interact. energy: -0.946
local terms energy: -196.096506
where:
bonds (distance) C4'-P energy: -40.826
bonds (distance) P-C4' energy: -49.990
flat angles C4'-P-C4' energy: -46.172
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -39.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -586.832004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.832004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.832004 (E_RNA)
where:
Base-Base interactions energy: -395.990
where: short stacking energy: -175.556
Base-Backbone interact. energy: -1.058
local terms energy: -189.783438
where:
bonds (distance) C4'-P energy: -42.207
bonds (distance) P-C4' energy: -36.237
flat angles C4'-P-C4' energy: -40.593
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -49.183
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: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -511.101682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.101682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.101682 (E_RNA)
where:
Base-Base interactions energy: -331.201
where: short stacking energy: -147.263
Base-Backbone interact. energy: 1.376
local terms energy: -181.276832
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -40.304
flat angles C4'-P-C4' energy: -50.506
flat angles P-C4'-P energy: -28.841
tors. eta vs tors. theta energy: -29.475
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: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -408.035369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.035369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.035369 (E_RNA)
where:
Base-Base interactions energy: -241.365
where: short stacking energy: -134.743
Base-Backbone interact. energy: 0.054
local terms energy: -166.724096
where:
bonds (distance) C4'-P energy: -37.696
bonds (distance) P-C4' energy: -39.773
flat angles C4'-P-C4' energy: -35.716
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -25.501
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: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -338.446995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.446995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.446995 (E_RNA)
where:
Base-Base interactions energy: -199.726
where: short stacking energy: -109.026
Base-Backbone interact. energy: -1.053
local terms energy: -137.668335
where:
bonds (distance) C4'-P energy: -29.020
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -39.522
flat angles P-C4'-P energy: -17.750
tors. eta vs tors. theta energy: -14.681
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: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -204.063203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.063203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.063203 (E_RNA)
where:
Base-Base interactions energy: -81.427
where: short stacking energy: -61.555
Base-Backbone interact. energy: 5.250
local terms energy: -127.885463
where:
bonds (distance) C4'-P energy: -46.261
bonds (distance) P-C4' energy: -34.839
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -28.531
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -746.033917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.033917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.033917 (E_RNA)
where:
Base-Base interactions energy: -512.491
where: short stacking energy: -212.576
Base-Backbone interact. energy: -1.810
local terms energy: -231.732947
where:
bonds (distance) C4'-P energy: -40.175
bonds (distance) P-C4' energy: -47.567
flat angles C4'-P-C4' energy: -42.360
flat angles P-C4'-P energy: -36.569
tors. eta vs tors. theta energy: -65.062
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: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -720.141368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.141368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.141368 (E_RNA)
where:
Base-Base interactions energy: -491.408
where: short stacking energy: -206.370
Base-Backbone interact. energy: -1.542
local terms energy: -227.190955
where:
bonds (distance) C4'-P energy: -45.563
bonds (distance) P-C4' energy: -44.217
flat angles C4'-P-C4' energy: -52.362
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -56.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -713.643797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.643797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.643797 (E_RNA)
where:
Base-Base interactions energy: -480.842
where: short stacking energy: -218.407
Base-Backbone interact. energy: 2.267
local terms energy: -235.068801
where:
bonds (distance) C4'-P energy: -44.704
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -50.105
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -61.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -677.958609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.958609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.958609 (E_RNA)
where:
Base-Base interactions energy: -467.632
where: short stacking energy: -193.046
Base-Backbone interact. energy: 2.839
local terms energy: -213.166164
where:
bonds (distance) C4'-P energy: -38.788
bonds (distance) P-C4' energy: -45.400
flat angles C4'-P-C4' energy: -45.547
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -48.746
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: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -586.182347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.182347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.182347 (E_RNA)
where:
Base-Base interactions energy: -390.068
where: short stacking energy: -184.999
Base-Backbone interact. energy: 0.457
local terms energy: -196.571192
where:
bonds (distance) C4'-P energy: -37.737
bonds (distance) P-C4' energy: -33.843
flat angles C4'-P-C4' energy: -41.348
flat angles P-C4'-P energy: -26.583
tors. eta vs tors. theta energy: -57.059
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: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -595.424982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.424982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.424982 (E_RNA)
where:
Base-Base interactions energy: -392.589
where: short stacking energy: -173.566
Base-Backbone interact. energy: -0.497
local terms energy: -202.338847
where:
bonds (distance) C4'-P energy: -38.459
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -43.259
flat angles P-C4'-P energy: -28.374
tors. eta vs tors. theta energy: -49.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -505.994140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.994140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.994140 (E_RNA)
where:
Base-Base interactions energy: -323.779
where: short stacking energy: -144.539
Base-Backbone interact. energy: 1.790
local terms energy: -184.005440
where:
bonds (distance) C4'-P energy: -40.456
bonds (distance) P-C4' energy: -43.728
flat angles C4'-P-C4' energy: -43.291
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -31.931
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: 8, replica: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -430.228412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.228412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.228412 (E_RNA)
where:
Base-Base interactions energy: -272.658
where: short stacking energy: -123.791
Base-Backbone interact. energy: 0.300
local terms energy: -157.870319
where:
bonds (distance) C4'-P energy: -35.978
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -27.665
tors. eta vs tors. theta energy: -23.065
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: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -387.581951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.581951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.581951 (E_RNA)
where:
Base-Base interactions energy: -227.111
where: short stacking energy: -123.864
Base-Backbone interact. energy: -0.437
local terms energy: -160.033986
where:
bonds (distance) C4'-P energy: -39.352
bonds (distance) P-C4' energy: -42.689
flat angles C4'-P-C4' energy: -35.681
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -28.367
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: 173
Temperature: 1.350000
Total energy: -219.078637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.078637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.078637 (E_RNA)
where:
Base-Base interactions energy: -89.924
where: short stacking energy: -64.452
Base-Backbone interact. energy: -1.345
local terms energy: -127.810006
where:
bonds (distance) C4'-P energy: -36.021
bonds (distance) P-C4' energy: -50.900
flat angles C4'-P-C4' energy: -25.636
flat angles P-C4'-P energy: -22.694
tors. eta vs tors. theta energy: 7.440
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: 1, replica: 6
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -757.384466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.384466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.384466 (E_RNA)
where:
Base-Base interactions energy: -539.883
where: short stacking energy: -205.439
Base-Backbone interact. energy: -1.217
local terms energy: -216.284670
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -41.562
flat angles P-C4'-P energy: -30.784
tors. eta vs tors. theta energy: -64.672
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: 4
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -736.341732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.341732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.341732 (E_RNA)
where:
Base-Base interactions energy: -506.323
where: short stacking energy: -222.347
Base-Backbone interact. energy: 0.544
local terms energy: -230.562339
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -51.196
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: -59.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -716.479472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.479472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.479472 (E_RNA)
where:
Base-Base interactions energy: -497.605
where: short stacking energy: -205.814
Base-Backbone interact. energy: -0.443
local terms energy: -218.431542
where:
bonds (distance) C4'-P energy: -37.372
bonds (distance) P-C4' energy: -32.228
flat angles C4'-P-C4' energy: -50.519
flat angles P-C4'-P energy: -33.075
tors. eta vs tors. theta energy: -65.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -679.786101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.786101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.786101 (E_RNA)
where:
Base-Base interactions energy: -457.472
where: short stacking energy: -195.110
Base-Backbone interact. energy: -0.649
local terms energy: -221.665306
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -47.640
flat angles P-C4'-P energy: -34.815
tors. eta vs tors. theta energy: -54.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -572.928632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.928632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.928632 (E_RNA)
where:
Base-Base interactions energy: -374.027
where: short stacking energy: -181.570
Base-Backbone interact. energy: -1.113
local terms energy: -197.788796
where:
bonds (distance) C4'-P energy: -32.478
bonds (distance) P-C4' energy: -40.053
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -30.672
tors. eta vs tors. theta energy: -49.136
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: 6, replica: 1
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -608.939583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.939583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.939583 (E_RNA)
where:
Base-Base interactions energy: -413.258
where: short stacking energy: -188.514
Base-Backbone interact. energy: -0.918
local terms energy: -194.763869
where:
bonds (distance) C4'-P energy: -32.411
bonds (distance) P-C4' energy: -42.385
flat angles C4'-P-C4' energy: -44.825
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -51.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -546.486793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.486793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.486793 (E_RNA)
where:
Base-Base interactions energy: -380.169
where: short stacking energy: -162.013
Base-Backbone interact. energy: -3.460
local terms energy: -162.858083
where:
bonds (distance) C4'-P energy: -28.710
bonds (distance) P-C4' energy: -33.742
flat angles C4'-P-C4' energy: -28.136
flat angles P-C4'-P energy: -29.588
tors. eta vs tors. theta energy: -42.682
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: 10
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -421.007457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.007457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.007457 (E_RNA)
where:
Base-Base interactions energy: -270.403
where: short stacking energy: -139.754
Base-Backbone interact. energy: -1.418
local terms energy: -149.186537
where:
bonds (distance) C4'-P energy: -35.632
bonds (distance) P-C4' energy: -34.077
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -33.393
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -352.312160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.312160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.312160 (E_RNA)
where:
Base-Base interactions energy: -198.016
where: short stacking energy: -96.745
Base-Backbone interact. energy: -1.387
local terms energy: -152.909113
where:
bonds (distance) C4'-P energy: -36.043
bonds (distance) P-C4' energy: -28.791
flat angles C4'-P-C4' energy: -38.200
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -223.220030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.220030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.220030 (E_RNA)
where:
Base-Base interactions energy: -110.001
where: short stacking energy: -59.668
Base-Backbone interact. energy: -0.767
local terms energy: -112.451877
where:
bonds (distance) C4'-P energy: -29.171
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -35.001
flat angles P-C4'-P energy: -20.561
tors. eta vs tors. theta energy: -1.126
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: 1, replica: 6
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -746.069553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.069553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.069553 (E_RNA)
where:
Base-Base interactions energy: -514.819
where: short stacking energy: -221.126
Base-Backbone interact. energy: -1.282
local terms energy: -229.968128
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -44.389
flat angles P-C4'-P energy: -30.592
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: 2, replica: 5
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -712.420505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.420505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.420505 (E_RNA)
where:
Base-Base interactions energy: -482.268
where: short stacking energy: -214.337
Base-Backbone interact. energy: -0.678
local terms energy: -229.474980
where:
bonds (distance) C4'-P energy: -39.129
bonds (distance) P-C4' energy: -44.907
flat angles C4'-P-C4' energy: -50.230
flat angles P-C4'-P energy: -33.627
tors. eta vs tors. theta energy: -61.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -728.458909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.458909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.458909 (E_RNA)
where:
Base-Base interactions energy: -510.766
where: short stacking energy: -216.316
Base-Backbone interact. energy: 1.456
local terms energy: -219.149316
where:
bonds (distance) C4'-P energy: -41.185
bonds (distance) P-C4' energy: -39.308
flat angles C4'-P-C4' energy: -45.901
flat angles P-C4'-P energy: -33.111
tors. eta vs tors. theta energy: -59.644
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: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -675.651223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.651223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.651223 (E_RNA)
where:
Base-Base interactions energy: -465.876
where: short stacking energy: -198.179
Base-Backbone interact. energy: -1.239
local terms energy: -208.535466
where:
bonds (distance) C4'-P energy: -40.161
bonds (distance) P-C4' energy: -43.921
flat angles C4'-P-C4' energy: -41.096
flat angles P-C4'-P energy: -30.683
tors. eta vs tors. theta energy: -52.674
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: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -574.547005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.547005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.547005 (E_RNA)
where:
Base-Base interactions energy: -381.687
where: short stacking energy: -181.202
Base-Backbone interact. energy: -0.606
local terms energy: -192.254009
where:
bonds (distance) C4'-P energy: -42.623
bonds (distance) P-C4' energy: -39.354
flat angles C4'-P-C4' energy: -39.892
flat angles P-C4'-P energy: -26.621
tors. eta vs tors. theta energy: -43.763
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: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -601.024960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.024960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.024960 (E_RNA)
where:
Base-Base interactions energy: -394.798
where: short stacking energy: -167.046
Base-Backbone interact. energy: -1.125
local terms energy: -205.102629
where:
bonds (distance) C4'-P energy: -38.434
bonds (distance) P-C4' energy: -45.888
flat angles C4'-P-C4' energy: -38.796
flat angles P-C4'-P energy: -34.998
tors. eta vs tors. theta energy: -46.987
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: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -540.057621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.057621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.057621 (E_RNA)
where:
Base-Base interactions energy: -358.560
where: short stacking energy: -150.406
Base-Backbone interact. energy: -0.855
local terms energy: -180.642792
where:
bonds (distance) C4'-P energy: -34.652
bonds (distance) P-C4' energy: -34.373
flat angles C4'-P-C4' energy: -46.167
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -37.747
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: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -461.256335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.256335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.256335 (E_RNA)
where:
Base-Base interactions energy: -297.474
where: short stacking energy: -145.775
Base-Backbone interact. energy: 1.383
local terms energy: -165.165160
where:
bonds (distance) C4'-P energy: -37.575
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -44.113
flat angles P-C4'-P energy: -28.376
tors. eta vs tors. theta energy: -26.368
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: 175
Temperature: 1.300000
Total energy: -411.475599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.475599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.475599 (E_RNA)
where:
Base-Base interactions energy: -237.035
where: short stacking energy: -110.261
Base-Backbone interact. energy: 1.161
local terms energy: -175.601214
where:
bonds (distance) C4'-P energy: -40.440
bonds (distance) P-C4' energy: -40.699
flat angles C4'-P-C4' energy: -31.794
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -28.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -203.808531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.808531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.808531 (E_RNA)
where:
Base-Base interactions energy: -74.078
where: short stacking energy: -71.561
Base-Backbone interact. energy: -0.067
local terms energy: -129.663412
where:
bonds (distance) C4'-P energy: -31.870
bonds (distance) P-C4' energy: -43.744
flat angles C4'-P-C4' energy: -33.420
flat angles P-C4'-P energy: -15.394
tors. eta vs tors. theta energy: -5.235
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: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -749.796503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.796503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.796503 (E_RNA)
where:
Base-Base interactions energy: -520.607
where: short stacking energy: -210.007
Base-Backbone interact. energy: 0.215
local terms energy: -229.403850
where:
bonds (distance) C4'-P energy: -47.247
bonds (distance) P-C4' energy: -46.200
flat angles C4'-P-C4' energy: -51.190
flat angles P-C4'-P energy: -30.017
tors. eta vs tors. theta energy: -54.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -727.433908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.433908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.433908 (E_RNA)
where:
Base-Base interactions energy: -496.591
where: short stacking energy: -224.432
Base-Backbone interact. energy: -0.841
local terms energy: -230.001918
where:
bonds (distance) C4'-P energy: -38.085
bonds (distance) P-C4' energy: -47.558
flat angles C4'-P-C4' energy: -48.765
flat angles P-C4'-P energy: -30.973
tors. eta vs tors. theta energy: -64.620
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: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -720.247570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.247570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.247570 (E_RNA)
where:
Base-Base interactions energy: -500.661
where: short stacking energy: -216.741
Base-Backbone interact. energy: -1.812
local terms energy: -217.775386
where:
bonds (distance) C4'-P energy: -42.092
bonds (distance) P-C4' energy: -37.886
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -33.986
tors. eta vs tors. theta energy: -57.644
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: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -670.786501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.786501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.786501 (E_RNA)
where:
Base-Base interactions energy: -458.689
where: short stacking energy: -196.639
Base-Backbone interact. energy: -2.570
local terms energy: -209.527108
where:
bonds (distance) C4'-P energy: -49.564
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -44.807
flat angles P-C4'-P energy: -31.658
tors. eta vs tors. theta energy: -51.520
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: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -614.421617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.421617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.421617 (E_RNA)
where:
Base-Base interactions energy: -416.117
where: short stacking energy: -185.657
Base-Backbone interact. energy: 0.504
local terms energy: -198.808610
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -35.013
flat angles C4'-P-C4' energy: -44.574
flat angles P-C4'-P energy: -29.473
tors. eta vs tors. theta energy: -54.437
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: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -555.230546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.230546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.230546 (E_RNA)
where:
Base-Base interactions energy: -366.095
where: short stacking energy: -174.341
Base-Backbone interact. energy: -0.545
local terms energy: -188.590336
where:
bonds (distance) C4'-P energy: -43.662
bonds (distance) P-C4' energy: -35.614
flat angles C4'-P-C4' energy: -42.581
flat angles P-C4'-P energy: -27.083
tors. eta vs tors. theta energy: -39.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -580.603015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.603015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.603015 (E_RNA)
where:
Base-Base interactions energy: -385.260
where: short stacking energy: -178.593
Base-Backbone interact. energy: -1.038
local terms energy: -194.305062
where:
bonds (distance) C4'-P energy: -40.118
bonds (distance) P-C4' energy: -41.115
flat angles C4'-P-C4' energy: -43.096
flat angles P-C4'-P energy: -29.526
tors. eta vs tors. theta energy: -40.450
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: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -456.272523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.272523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.272523 (E_RNA)
where:
Base-Base interactions energy: -294.168
where: short stacking energy: -152.857
Base-Backbone interact. energy: -0.036
local terms energy: -162.068535
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -37.563
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -34.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -391.887788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.887788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.887788 (E_RNA)
where:
Base-Base interactions energy: -243.337
where: short stacking energy: -137.475
Base-Backbone interact. energy: -0.827
local terms energy: -147.724531
where:
bonds (distance) C4'-P energy: -38.718
bonds (distance) P-C4' energy: -26.093
flat angles C4'-P-C4' energy: -40.663
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -30.969
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: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -199.062612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.062612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.062612 (E_RNA)
where:
Base-Base interactions energy: -80.805
where: short stacking energy: -65.581
Base-Backbone interact. energy: 0.837
local terms energy: -119.094574
where:
bonds (distance) C4'-P energy: -31.676
bonds (distance) P-C4' energy: -37.145
flat angles C4'-P-C4' energy: -28.829
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -1.793
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: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -747.620269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.620269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.620269 (E_RNA)
where:
Base-Base interactions energy: -536.176
where: short stacking energy: -212.876
Base-Backbone interact. energy: 0.147
local terms energy: -211.591433
where:
bonds (distance) C4'-P energy: -40.796
bonds (distance) P-C4' energy: -42.036
flat angles C4'-P-C4' energy: -45.948
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -56.384
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: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -731.101264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.101264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.101264 (E_RNA)
where:
Base-Base interactions energy: -491.419
where: short stacking energy: -218.481
Base-Backbone interact. energy: -1.715
local terms energy: -237.966980
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -48.732
flat angles C4'-P-C4' energy: -49.001
flat angles P-C4'-P energy: -32.281
tors. eta vs tors. theta energy: -67.136
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: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -720.901090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.901090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.901090 (E_RNA)
where:
Base-Base interactions energy: -508.642
where: short stacking energy: -206.782
Base-Backbone interact. energy: -0.503
local terms energy: -211.755653
where:
bonds (distance) C4'-P energy: -41.447
bonds (distance) P-C4' energy: -38.634
flat angles C4'-P-C4' energy: -40.136
flat angles P-C4'-P energy: -34.292
tors. eta vs tors. theta energy: -57.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -625.104623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.104623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.104623 (E_RNA)
where:
Base-Base interactions energy: -407.867
where: short stacking energy: -190.342
Base-Backbone interact. energy: -0.637
local terms energy: -216.600867
where:
bonds (distance) C4'-P energy: -44.507
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -48.809
flat angles P-C4'-P energy: -30.263
tors. eta vs tors. theta energy: -54.041
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: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -640.163558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.163558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.163558 (E_RNA)
where:
Base-Base interactions energy: -433.258
where: short stacking energy: -195.635
Base-Backbone interact. energy: -0.125
local terms energy: -206.780477
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -46.689
flat angles P-C4'-P energy: -29.272
tors. eta vs tors. theta energy: -50.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -554.952653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.952653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.952653 (E_RNA)
where:
Base-Base interactions energy: -354.503
where: short stacking energy: -162.766
Base-Backbone interact. energy: -0.391
local terms energy: -200.059550
where:
bonds (distance) C4'-P energy: -44.009
bonds (distance) P-C4' energy: -33.923
flat angles C4'-P-C4' energy: -45.775
flat angles P-C4'-P energy: -33.349
tors. eta vs tors. theta energy: -43.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -590.748316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.748316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.748316 (E_RNA)
where:
Base-Base interactions energy: -406.177
where: short stacking energy: -192.869
Base-Backbone interact. energy: 3.364
local terms energy: -187.935385
where:
bonds (distance) C4'-P energy: -41.217
bonds (distance) P-C4' energy: -41.645
flat angles C4'-P-C4' energy: -38.577
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: -44.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -405.847908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.847908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.847908 (E_RNA)
where:
Base-Base interactions energy: -240.700
where: short stacking energy: -123.038
Base-Backbone interact. energy: 0.469
local terms energy: -165.617617
where:
bonds (distance) C4'-P energy: -43.615
bonds (distance) P-C4' energy: -42.899
flat angles C4'-P-C4' energy: -32.806
flat angles P-C4'-P energy: -18.962
tors. eta vs tors. theta energy: -27.336
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: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -384.068189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.068189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.068189 (E_RNA)
where:
Base-Base interactions energy: -227.732
where: short stacking energy: -119.463
Base-Backbone interact. energy: -1.021
local terms energy: -155.315215
where:
bonds (distance) C4'-P energy: -41.262
bonds (distance) P-C4' energy: -40.176
flat angles C4'-P-C4' energy: -38.237
flat angles P-C4'-P energy: -15.974
tors. eta vs tors. theta energy: -19.665
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: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -212.394329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.394329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.394329 (E_RNA)
where:
Base-Base interactions energy: -80.238
where: short stacking energy: -69.827
Base-Backbone interact. energy: -0.222
local terms energy: -131.933997
where:
bonds (distance) C4'-P energy: -32.149
bonds (distance) P-C4' energy: -35.352
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -6.186
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: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -736.197178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.197178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.197178 (E_RNA)
where:
Base-Base interactions energy: -500.819
where: short stacking energy: -228.603
Base-Backbone interact. energy: -0.239
local terms energy: -235.139690
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -42.736
flat angles C4'-P-C4' energy: -50.074
flat angles P-C4'-P energy: -30.527
tors. eta vs tors. theta energy: -71.443
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: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -736.251716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.251716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.251716 (E_RNA)
where:
Base-Base interactions energy: -519.997
where: short stacking energy: -215.666
Base-Backbone interact. energy: -1.180
local terms energy: -215.074449
where:
bonds (distance) C4'-P energy: -34.233
bonds (distance) P-C4' energy: -49.716
flat angles C4'-P-C4' energy: -45.947
flat angles P-C4'-P energy: -30.371
tors. eta vs tors. theta energy: -54.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -665.568453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.568453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.568453 (E_RNA)
where:
Base-Base interactions energy: -442.790
where: short stacking energy: -220.407
Base-Backbone interact. energy: -0.409
local terms energy: -222.369807
where:
bonds (distance) C4'-P energy: -36.003
bonds (distance) P-C4' energy: -45.974
flat angles C4'-P-C4' energy: -43.294
flat angles P-C4'-P energy: -35.612
tors. eta vs tors. theta energy: -61.487
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: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -714.989406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.989406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.989406 (E_RNA)
where:
Base-Base interactions energy: -487.689
where: short stacking energy: -206.111
Base-Backbone interact. energy: -0.327
local terms energy: -226.972639
where:
bonds (distance) C4'-P energy: -42.199
bonds (distance) P-C4' energy: -44.774
flat angles C4'-P-C4' energy: -50.838
flat angles P-C4'-P energy: -26.157
tors. eta vs tors. theta energy: -63.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -636.451009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.451009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.451009 (E_RNA)
where:
Base-Base interactions energy: -437.361
where: short stacking energy: -182.764
Base-Backbone interact. energy: -0.811
local terms energy: -198.278372
where:
bonds (distance) C4'-P energy: -38.950
bonds (distance) P-C4' energy: -46.596
flat angles C4'-P-C4' energy: -37.126
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -47.208
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: 7
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -558.952464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.952464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.952464 (E_RNA)
where:
Base-Base interactions energy: -378.588
where: short stacking energy: -175.921
Base-Backbone interact. energy: -0.235
local terms energy: -180.129727
where:
bonds (distance) C4'-P energy: -39.283
bonds (distance) P-C4' energy: -33.557
flat angles C4'-P-C4' energy: -39.890
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -43.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -575.811172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.811172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.811172 (E_RNA)
where:
Base-Base interactions energy: -396.500
where: short stacking energy: -185.789
Base-Backbone interact. energy: -0.911
local terms energy: -178.400066
where:
bonds (distance) C4'-P energy: -27.045
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -39.525
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -52.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -414.459988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.459988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.459988 (E_RNA)
where:
Base-Base interactions energy: -248.660
where: short stacking energy: -143.367
Base-Backbone interact. energy: 1.058
local terms energy: -166.857874
where:
bonds (distance) C4'-P energy: -34.714
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -40.485
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -32.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -360.922489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.922489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.922489 (E_RNA)
where:
Base-Base interactions energy: -228.210
where: short stacking energy: -110.765
Base-Backbone interact. energy: 4.513
local terms energy: -137.225074
where:
bonds (distance) C4'-P energy: -30.565
bonds (distance) P-C4' energy: -31.039
flat angles C4'-P-C4' energy: -30.268
flat angles P-C4'-P energy: -23.388
tors. eta vs tors. theta energy: -21.965
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: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -201.043879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.043879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.043879 (E_RNA)
where:
Base-Base interactions energy: -80.297
where: short stacking energy: -70.273
Base-Backbone interact. energy: 1.226
local terms energy: -121.973383
where:
bonds (distance) C4'-P energy: -26.534
bonds (distance) P-C4' energy: -45.374
flat angles C4'-P-C4' energy: -41.688
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: 2.427
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: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -747.745215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.745215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.745215 (E_RNA)
where:
Base-Base interactions energy: -512.510
where: short stacking energy: -234.083
Base-Backbone interact. energy: -0.345
local terms energy: -234.890271
where:
bonds (distance) C4'-P energy: -43.794
bonds (distance) P-C4' energy: -39.360
flat angles C4'-P-C4' energy: -50.608
flat angles P-C4'-P energy: -34.411
tors. eta vs tors. theta energy: -66.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -725.506646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.506646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.506646 (E_RNA)
where:
Base-Base interactions energy: -503.894
where: short stacking energy: -189.189
Base-Backbone interact. energy: -1.809
local terms energy: -219.803546
where:
bonds (distance) C4'-P energy: -46.149
bonds (distance) P-C4' energy: -44.642
flat angles C4'-P-C4' energy: -40.378
flat angles P-C4'-P energy: -28.861
tors. eta vs tors. theta energy: -59.772
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: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -667.136325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.136325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.136325 (E_RNA)
where:
Base-Base interactions energy: -433.779
where: short stacking energy: -203.571
Base-Backbone interact. energy: -1.814
local terms energy: -231.543574
where:
bonds (distance) C4'-P energy: -37.313
bonds (distance) P-C4' energy: -42.535
flat angles C4'-P-C4' energy: -47.380
flat angles P-C4'-P energy: -40.904
tors. eta vs tors. theta energy: -63.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -725.774415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.774415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.774415 (E_RNA)
where:
Base-Base interactions energy: -502.092
where: short stacking energy: -214.525
Base-Backbone interact. energy: -1.608
local terms energy: -222.074467
where:
bonds (distance) C4'-P energy: -44.075
bonds (distance) P-C4' energy: -43.268
flat angles C4'-P-C4' energy: -42.618
flat angles P-C4'-P energy: -30.458
tors. eta vs tors. theta energy: -61.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -647.602354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.602354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.602354 (E_RNA)
where:
Base-Base interactions energy: -452.670
where: short stacking energy: -174.499
Base-Backbone interact. energy: -0.309
local terms energy: -194.623327
where:
bonds (distance) C4'-P energy: -40.640
bonds (distance) P-C4' energy: -39.771
flat angles C4'-P-C4' energy: -42.664
flat angles P-C4'-P energy: -31.040
tors. eta vs tors. theta energy: -40.508
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: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -621.976056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.976056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.976056 (E_RNA)
where:
Base-Base interactions energy: -406.541
where: short stacking energy: -186.897
Base-Backbone interact. energy: 0.147
local terms energy: -215.582330
where:
bonds (distance) C4'-P energy: -42.374
bonds (distance) P-C4' energy: -37.352
flat angles C4'-P-C4' energy: -47.828
flat angles P-C4'-P energy: -37.592
tors. eta vs tors. theta energy: -50.437
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: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -546.538476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.538476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.538476 (E_RNA)
where:
Base-Base interactions energy: -355.090
where: short stacking energy: -153.494
Base-Backbone interact. energy: 2.854
local terms energy: -194.302395
where:
bonds (distance) C4'-P energy: -32.865
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -43.630
flat angles P-C4'-P energy: -30.625
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: 8, replica: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -440.069333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.069333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.069333 (E_RNA)
where:
Base-Base interactions energy: -266.227
where: short stacking energy: -157.865
Base-Backbone interact. energy: 0.915
local terms energy: -174.757346
where:
bonds (distance) C4'-P energy: -44.368
bonds (distance) P-C4' energy: -38.217
flat angles C4'-P-C4' energy: -25.222
flat angles P-C4'-P energy: -29.802
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: 9, replica: 10
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -330.463772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.463772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.463772 (E_RNA)
where:
Base-Base interactions energy: -200.878
where: short stacking energy: -90.312
Base-Backbone interact. energy: 3.229
local terms energy: -132.814804
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -29.855
flat angles C4'-P-C4' energy: -42.065
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -6.153
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: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -197.071645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.071645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.071645 (E_RNA)
where:
Base-Base interactions energy: -70.109
where: short stacking energy: -69.821
Base-Backbone interact. energy: 2.171
local terms energy: -129.134288
where:
bonds (distance) C4'-P energy: -33.336
bonds (distance) P-C4' energy: -37.466
flat angles C4'-P-C4' energy: -40.260
flat angles P-C4'-P energy: -19.599
tors. eta vs tors. theta energy: 1.527
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: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -749.447052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.447052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.447052 (E_RNA)
where:
Base-Base interactions energy: -523.768
where: short stacking energy: -215.890
Base-Backbone interact. energy: -1.003
local terms energy: -224.676268
where:
bonds (distance) C4'-P energy: -38.521
bonds (distance) P-C4' energy: -48.207
flat angles C4'-P-C4' energy: -46.806
flat angles P-C4'-P energy: -36.329
tors. eta vs tors. theta energy: -54.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -724.166851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.166851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.166851 (E_RNA)
where:
Base-Base interactions energy: -494.520
where: short stacking energy: -216.054
Base-Backbone interact. energy: -0.216
local terms energy: -229.430866
where:
bonds (distance) C4'-P energy: -38.801
bonds (distance) P-C4' energy: -45.505
flat angles C4'-P-C4' energy: -45.337
flat angles P-C4'-P energy: -37.598
tors. eta vs tors. theta energy: -62.189
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: 3, replica: 4
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -704.532557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.532557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.532557 (E_RNA)
where:
Base-Base interactions energy: -494.189
where: short stacking energy: -224.450
Base-Backbone interact. energy: -0.172
local terms energy: -210.171295
where:
bonds (distance) C4'-P energy: -39.635
bonds (distance) P-C4' energy: -41.802
flat angles C4'-P-C4' energy: -47.349
flat angles P-C4'-P energy: -24.804
tors. eta vs tors. theta energy: -56.582
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: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -642.916133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.916133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.916133 (E_RNA)
where:
Base-Base interactions energy: -442.766
where: short stacking energy: -182.455
Base-Backbone interact. energy: -1.514
local terms energy: -198.635995
where:
bonds (distance) C4'-P energy: -42.830
bonds (distance) P-C4' energy: -38.611
flat angles C4'-P-C4' energy: -41.856
flat angles P-C4'-P energy: -25.359
tors. eta vs tors. theta energy: -49.980
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: 180
Temperature: 1.100000
Total energy: -638.885099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.885099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.885099 (E_RNA)
where:
Base-Base interactions energy: -420.222
where: short stacking energy: -200.308
Base-Backbone interact. energy: 1.755
local terms energy: -220.417973
where:
bonds (distance) C4'-P energy: -39.041
bonds (distance) P-C4' energy: -52.025
flat angles C4'-P-C4' energy: -46.187
flat angles P-C4'-P energy: -27.630
tors. eta vs tors. theta energy: -55.536
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: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -635.768854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.768854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.768854 (E_RNA)
where:
Base-Base interactions energy: -438.735
where: short stacking energy: -190.567
Base-Backbone interact. energy: -0.386
local terms energy: -196.647728
where:
bonds (distance) C4'-P energy: -30.736
bonds (distance) P-C4' energy: -40.909
flat angles C4'-P-C4' energy: -44.848
flat angles P-C4'-P energy: -26.371
tors. eta vs tors. theta energy: -53.785
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: 7
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -540.429478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.429478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.429478 (E_RNA)
where:
Base-Base interactions energy: -341.896
where: short stacking energy: -158.048
Base-Backbone interact. energy: -0.745
local terms energy: -197.787954
where:
bonds (distance) C4'-P energy: -42.751
bonds (distance) P-C4' energy: -42.965
flat angles C4'-P-C4' energy: -47.720
flat angles P-C4'-P energy: -29.666
tors. eta vs tors. theta energy: -34.686
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: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -400.130963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.130963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.130963 (E_RNA)
where:
Base-Base interactions energy: -257.731
where: short stacking energy: -122.194
Base-Backbone interact. energy: 5.355
local terms energy: -147.754348
where:
bonds (distance) C4'-P energy: -26.748
bonds (distance) P-C4' energy: -28.273
flat angles C4'-P-C4' energy: -43.871
flat angles P-C4'-P energy: -28.472
tors. eta vs tors. theta energy: -20.390
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: 10
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -366.845873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.845873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.845873 (E_RNA)
where:
Base-Base interactions energy: -196.766
where: short stacking energy: -94.640
Base-Backbone interact. energy: -1.379
local terms energy: -168.700136
where:
bonds (distance) C4'-P energy: -42.030
bonds (distance) P-C4' energy: -50.771
flat angles C4'-P-C4' energy: -34.230
flat angles P-C4'-P energy: -20.250
tors. eta vs tors. theta energy: -21.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -196.616213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.616213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.616213 (E_RNA)
where:
Base-Base interactions energy: -69.595
where: short stacking energy: -59.016
Base-Backbone interact. energy: -0.596
local terms energy: -126.425290
where:
bonds (distance) C4'-P energy: -45.832
bonds (distance) P-C4' energy: -26.513
flat angles C4'-P-C4' energy: -33.396
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -2.088
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: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -737.202102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.202102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.202102 (E_RNA)
where:
Base-Base interactions energy: -515.723
where: short stacking energy: -195.078
Base-Backbone interact. energy: -1.017
local terms energy: -220.461636
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -45.985
flat angles C4'-P-C4' energy: -44.768
flat angles P-C4'-P energy: -30.597
tors. eta vs tors. theta energy: -61.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -730.628146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.628146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.628146 (E_RNA)
where:
Base-Base interactions energy: -499.160
where: short stacking energy: -203.133
Base-Backbone interact. energy: -1.355
local terms energy: -230.113418
where:
bonds (distance) C4'-P energy: -42.964
bonds (distance) P-C4' energy: -52.333
flat angles C4'-P-C4' energy: -47.469
flat angles P-C4'-P energy: -33.665
tors. eta vs tors. theta energy: -53.682
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: 4
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -705.880298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.880298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.880298 (E_RNA)
where:
Base-Base interactions energy: -482.319
where: short stacking energy: -213.437
Base-Backbone interact. energy: 0.657
local terms energy: -224.218839
where:
bonds (distance) C4'-P energy: -43.904
bonds (distance) P-C4' energy: -46.510
flat angles C4'-P-C4' energy: -52.459
flat angles P-C4'-P energy: -23.187
tors. eta vs tors. theta energy: -58.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -657.555448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.555448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.555448 (E_RNA)
where:
Base-Base interactions energy: -446.184
where: short stacking energy: -203.573
Base-Backbone interact. energy: -0.176
local terms energy: -211.194750
where:
bonds (distance) C4'-P energy: -37.918
bonds (distance) P-C4' energy: -42.109
flat angles C4'-P-C4' energy: -40.429
flat angles P-C4'-P energy: -35.918
tors. eta vs tors. theta energy: -54.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -619.264639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.264639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.264639 (E_RNA)
where:
Base-Base interactions energy: -415.205
where: short stacking energy: -192.068
Base-Backbone interact. energy: -0.897
local terms energy: -203.161854
where:
bonds (distance) C4'-P energy: -42.233
bonds (distance) P-C4' energy: -33.894
flat angles C4'-P-C4' energy: -49.171
flat angles P-C4'-P energy: -29.279
tors. eta vs tors. theta energy: -48.584
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: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -603.520486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.520486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.520486 (E_RNA)
where:
Base-Base interactions energy: -407.342
where: short stacking energy: -185.288
Base-Backbone interact. energy: -0.267
local terms energy: -195.912259
where:
bonds (distance) C4'-P energy: -37.218
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -44.902
flat angles P-C4'-P energy: -27.736
tors. eta vs tors. theta energy: -51.484
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: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -614.060427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.060427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.060427 (E_RNA)
where:
Base-Base interactions energy: -431.084
where: short stacking energy: -176.262
Base-Backbone interact. energy: -0.389
local terms energy: -182.587365
where:
bonds (distance) C4'-P energy: -45.884
bonds (distance) P-C4' energy: -32.056
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -21.758
tors. eta vs tors. theta energy: -46.107
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: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -377.140591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.140591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.140591 (E_RNA)
where:
Base-Base interactions energy: -227.799
where: short stacking energy: -105.890
Base-Backbone interact. energy: -0.631
local terms energy: -148.710287
where:
bonds (distance) C4'-P energy: -27.183
bonds (distance) P-C4' energy: -44.368
flat angles C4'-P-C4' energy: -40.902
flat angles P-C4'-P energy: -20.696
tors. eta vs tors. theta energy: -15.560
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: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -344.383196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.383196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.383196 (E_RNA)
where:
Base-Base interactions energy: -191.596
where: short stacking energy: -105.709
Base-Backbone interact. energy: 0.679
local terms energy: -153.465920
where:
bonds (distance) C4'-P energy: -29.106
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -40.036
flat angles P-C4'-P energy: -24.204
tors. eta vs tors. theta energy: -18.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -192.730502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.730502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.730502 (E_RNA)
where:
Base-Base interactions energy: -68.548
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.994
local terms energy: -123.188375
where:
bonds (distance) C4'-P energy: -35.059
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -3.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -754.859591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.859591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.859591 (E_RNA)
where:
Base-Base interactions energy: -523.056
where: short stacking energy: -224.712
Base-Backbone interact. energy: 0.283
local terms energy: -232.087263
where:
bonds (distance) C4'-P energy: -42.007
bonds (distance) P-C4' energy: -45.335
flat angles C4'-P-C4' energy: -44.587
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -62.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -739.171699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.171699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.171699 (E_RNA)
where:
Base-Base interactions energy: -520.247
where: short stacking energy: -215.703
Base-Backbone interact. energy: -1.142
local terms energy: -217.782302
where:
bonds (distance) C4'-P energy: -41.644
bonds (distance) P-C4' energy: -45.647
flat angles C4'-P-C4' energy: -41.508
flat angles P-C4'-P energy: -26.826
tors. eta vs tors. theta energy: -62.157
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: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -647.198237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.198237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.198237 (E_RNA)
where:
Base-Base interactions energy: -437.210
where: short stacking energy: -205.104
Base-Backbone interact. energy: -0.252
local terms energy: -209.736208
where:
bonds (distance) C4'-P energy: -38.813
bonds (distance) P-C4' energy: -39.278
flat angles C4'-P-C4' energy: -45.220
flat angles P-C4'-P energy: -32.612
tors. eta vs tors. theta energy: -53.813
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: 4, replica: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -668.191115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.191115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.191115 (E_RNA)
where:
Base-Base interactions energy: -449.133
where: short stacking energy: -193.343
Base-Backbone interact. energy: -0.875
local terms energy: -218.182655
where:
bonds (distance) C4'-P energy: -44.107
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -41.780
flat angles P-C4'-P energy: -35.369
tors. eta vs tors. theta energy: -51.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -596.203136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.203136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.203136 (E_RNA)
where:
Base-Base interactions energy: -390.234
where: short stacking energy: -174.179
Base-Backbone interact. energy: 1.226
local terms energy: -207.195282
where:
bonds (distance) C4'-P energy: -40.760
bonds (distance) P-C4' energy: -39.586
flat angles C4'-P-C4' energy: -46.205
flat angles P-C4'-P energy: -31.904
tors. eta vs tors. theta energy: -48.739
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: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -555.949448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.949448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.949448 (E_RNA)
where:
Base-Base interactions energy: -377.224
where: short stacking energy: -159.934
Base-Backbone interact. energy: 2.356
local terms energy: -181.082092
where:
bonds (distance) C4'-P energy: -36.474
bonds (distance) P-C4' energy: -42.479
flat angles C4'-P-C4' energy: -33.874
flat angles P-C4'-P energy: -26.606
tors. eta vs tors. theta energy: -41.649
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: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -600.236895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.236895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.236895 (E_RNA)
where:
Base-Base interactions energy: -418.105
where: short stacking energy: -188.109
Base-Backbone interact. energy: -0.384
local terms energy: -181.748281
where:
bonds (distance) C4'-P energy: -36.136
bonds (distance) P-C4' energy: -37.119
flat angles C4'-P-C4' energy: -38.659
flat angles P-C4'-P energy: -21.121
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: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -418.397207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.397207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.397207 (E_RNA)
where:
Base-Base interactions energy: -241.250
where: short stacking energy: -134.542
Base-Backbone interact. energy: -0.468
local terms energy: -176.679937
where:
bonds (distance) C4'-P energy: -40.108
bonds (distance) P-C4' energy: -41.668
flat angles C4'-P-C4' energy: -39.430
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -31.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -361.855770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.855770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.855770 (E_RNA)
where:
Base-Base interactions energy: -210.313
where: short stacking energy: -108.811
Base-Backbone interact. energy: -0.580
local terms energy: -150.963467
where:
bonds (distance) C4'-P energy: -30.945
bonds (distance) P-C4' energy: -38.436
flat angles C4'-P-C4' energy: -36.181
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -21.346
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: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -196.010794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.010794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.010794 (E_RNA)
where:
Base-Base interactions energy: -75.730
where: short stacking energy: -66.442
Base-Backbone interact. energy: -0.273
local terms energy: -120.007232
where:
bonds (distance) C4'-P energy: -28.654
bonds (distance) P-C4' energy: -43.194
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: 6.381
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: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -747.363865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.363865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.363865 (E_RNA)
where:
Base-Base interactions energy: -505.206
where: short stacking energy: -221.244
Base-Backbone interact. energy: -0.090
local terms energy: -242.068387
where:
bonds (distance) C4'-P energy: -42.258
bonds (distance) P-C4' energy: -45.170
flat angles C4'-P-C4' energy: -51.380
flat angles P-C4'-P energy: -37.003
tors. eta vs tors. theta energy: -66.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -738.393336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.393336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.393336 (E_RNA)
where:
Base-Base interactions energy: -529.827
where: short stacking energy: -219.482
Base-Backbone interact. energy: -3.181
local terms energy: -205.386212
where:
bonds (distance) C4'-P energy: -44.648
bonds (distance) P-C4' energy: -34.131
flat angles C4'-P-C4' energy: -41.957
flat angles P-C4'-P energy: -25.490
tors. eta vs tors. theta energy: -59.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -667.994428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.994428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.994428 (E_RNA)
where:
Base-Base interactions energy: -452.155
where: short stacking energy: -200.800
Base-Backbone interact. energy: -0.166
local terms energy: -215.673121
where:
bonds (distance) C4'-P energy: -35.602
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -46.906
flat angles P-C4'-P energy: -29.996
tors. eta vs tors. theta energy: -56.079
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: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -598.592001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.592001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.592001 (E_RNA)
where:
Base-Base interactions energy: -392.167
where: short stacking energy: -176.064
Base-Backbone interact. energy: 0.068
local terms energy: -206.492571
where:
bonds (distance) C4'-P energy: -40.255
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -46.226
flat angles P-C4'-P energy: -28.404
tors. eta vs tors. theta energy: -48.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -645.794423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.794423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.794423 (E_RNA)
where:
Base-Base interactions energy: -436.028
where: short stacking energy: -187.706
Base-Backbone interact. energy: -0.585
local terms energy: -209.181755
where:
bonds (distance) C4'-P energy: -40.302
bonds (distance) P-C4' energy: -45.351
flat angles C4'-P-C4' energy: -42.494
flat angles P-C4'-P energy: -24.785
tors. eta vs tors. theta energy: -56.249
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: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -653.904680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.904680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.904680 (E_RNA)
where:
Base-Base interactions energy: -445.580
where: short stacking energy: -193.617
Base-Backbone interact. energy: -1.117
local terms energy: -207.208027
where:
bonds (distance) C4'-P energy: -41.538
bonds (distance) P-C4' energy: -38.350
flat angles C4'-P-C4' energy: -45.184
flat angles P-C4'-P energy: -25.678
tors. eta vs tors. theta energy: -56.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -529.764966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.764966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.764966 (E_RNA)
where:
Base-Base interactions energy: -339.859
where: short stacking energy: -150.723
Base-Backbone interact. energy: -0.986
local terms energy: -188.919894
where:
bonds (distance) C4'-P energy: -33.885
bonds (distance) P-C4' energy: -37.432
flat angles C4'-P-C4' energy: -43.802
flat angles P-C4'-P energy: -27.687
tors. eta vs tors. theta energy: -46.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -402.764290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.764290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.764290 (E_RNA)
where:
Base-Base interactions energy: -259.612
where: short stacking energy: -140.240
Base-Backbone interact. energy: -0.745
local terms energy: -142.407393
where:
bonds (distance) C4'-P energy: -30.289
bonds (distance) P-C4' energy: -34.552
flat angles C4'-P-C4' energy: -28.971
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -27.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -364.908710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.908710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.908710 (E_RNA)
where:
Base-Base interactions energy: -208.385
where: short stacking energy: -102.581
Base-Backbone interact. energy: 1.496
local terms energy: -158.018774
where:
bonds (distance) C4'-P energy: -43.115
bonds (distance) P-C4' energy: -42.476
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -17.684
tors. eta vs tors. theta energy: -25.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -205.993406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.993406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.993406 (E_RNA)
where:
Base-Base interactions energy: -106.168
where: short stacking energy: -66.602
Base-Backbone interact. energy: -1.399
local terms energy: -98.426505
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -23.534
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: 4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -756.113525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.113525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.113525 (E_RNA)
where:
Base-Base interactions energy: -527.264
where: short stacking energy: -203.362
Base-Backbone interact. energy: -1.867
local terms energy: -226.981853
where:
bonds (distance) C4'-P energy: -41.450
bonds (distance) P-C4' energy: -43.189
flat angles C4'-P-C4' energy: -43.857
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -64.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -752.881974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.881974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.881974 (E_RNA)
where:
Base-Base interactions energy: -519.011
where: short stacking energy: -225.042
Base-Backbone interact. energy: -1.185
local terms energy: -232.686437
where:
bonds (distance) C4'-P energy: -48.509
bonds (distance) P-C4' energy: -47.550
flat angles C4'-P-C4' energy: -43.284
flat angles P-C4'-P energy: -29.563
tors. eta vs tors. theta energy: -63.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -660.704428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.704428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.704428 (E_RNA)
where:
Base-Base interactions energy: -447.905
where: short stacking energy: -211.403
Base-Backbone interact. energy: -2.023
local terms energy: -210.776106
where:
bonds (distance) C4'-P energy: -33.919
bonds (distance) P-C4' energy: -40.162
flat angles C4'-P-C4' energy: -46.623
flat angles P-C4'-P energy: -29.580
tors. eta vs tors. theta energy: -60.493
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: 184
Temperature: 1.050000
Total energy: -596.584149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.584149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.584149 (E_RNA)
where:
Base-Base interactions energy: -392.119
where: short stacking energy: -169.138
Base-Backbone interact. energy: -2.158
local terms energy: -202.306638
where:
bonds (distance) C4'-P energy: -38.966
bonds (distance) P-C4' energy: -39.023
flat angles C4'-P-C4' energy: -46.443
flat angles P-C4'-P energy: -32.342
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: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -650.689685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.689685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.689685 (E_RNA)
where:
Base-Base interactions energy: -451.943
where: short stacking energy: -184.694
Base-Backbone interact. energy: -0.490
local terms energy: -198.256137
where:
bonds (distance) C4'-P energy: -41.123
bonds (distance) P-C4' energy: -33.926
flat angles C4'-P-C4' energy: -46.844
flat angles P-C4'-P energy: -23.661
tors. eta vs tors. theta energy: -52.702
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: 4
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -641.127976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.127976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.127976 (E_RNA)
where:
Base-Base interactions energy: -441.724
where: short stacking energy: -191.552
Base-Backbone interact. energy: 1.007
local terms energy: -200.410844
where:
bonds (distance) C4'-P energy: -42.892
bonds (distance) P-C4' energy: -45.553
flat angles C4'-P-C4' energy: -39.777
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -44.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -508.377699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.377699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.377699 (E_RNA)
where:
Base-Base interactions energy: -333.374
where: short stacking energy: -151.250
Base-Backbone interact. energy: 2.866
local terms energy: -177.869848
where:
bonds (distance) C4'-P energy: -39.651
bonds (distance) P-C4' energy: -37.762
flat angles C4'-P-C4' energy: -42.771
flat angles P-C4'-P energy: -25.725
tors. eta vs tors. theta energy: -31.960
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: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -417.314298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.314298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.314298 (E_RNA)
where:
Base-Base interactions energy: -263.044
where: short stacking energy: -133.550
Base-Backbone interact. energy: -0.787
local terms energy: -153.483841
where:
bonds (distance) C4'-P energy: -37.548
bonds (distance) P-C4' energy: -35.361
flat angles C4'-P-C4' energy: -34.567
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -23.753
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: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -371.217269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.217269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.217269 (E_RNA)
where:
Base-Base interactions energy: -224.199
where: short stacking energy: -107.045
Base-Backbone interact. energy: -0.161
local terms energy: -146.857886
where:
bonds (distance) C4'-P energy: -32.224
bonds (distance) P-C4' energy: -37.703
flat angles C4'-P-C4' energy: -32.035
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -25.919
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: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -180.978076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.978076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.978076 (E_RNA)
where:
Base-Base interactions energy: -68.780
where: short stacking energy: -46.124
Base-Backbone interact. energy: 3.866
local terms energy: -116.063980
where:
bonds (distance) C4'-P energy: -46.560
bonds (distance) P-C4' energy: -35.790
flat angles C4'-P-C4' energy: -27.998
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: 5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -758.607497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.607497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.607497 (E_RNA)
where:
Base-Base interactions energy: -533.714
where: short stacking energy: -219.354
Base-Backbone interact. energy: -2.047
local terms energy: -222.846477
where:
bonds (distance) C4'-P energy: -41.434
bonds (distance) P-C4' energy: -45.155
flat angles C4'-P-C4' energy: -41.807
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -66.337
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: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -744.184255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.184255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.184255 (E_RNA)
where:
Base-Base interactions energy: -512.253
where: short stacking energy: -225.757
Base-Backbone interact. energy: -2.219
local terms energy: -229.711971
where:
bonds (distance) C4'-P energy: -37.209
bonds (distance) P-C4' energy: -43.729
flat angles C4'-P-C4' energy: -46.778
flat angles P-C4'-P energy: -38.936
tors. eta vs tors. theta energy: -63.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -665.005516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.005516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.005516 (E_RNA)
where:
Base-Base interactions energy: -458.020
where: short stacking energy: -204.929
Base-Backbone interact. energy: -0.132
local terms energy: -206.853162
where:
bonds (distance) C4'-P energy: -39.577
bonds (distance) P-C4' energy: -41.289
flat angles C4'-P-C4' energy: -41.469
flat angles P-C4'-P energy: -29.628
tors. eta vs tors. theta energy: -54.892
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: 4, replica: 2
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -679.078989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.078989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.078989 (E_RNA)
where:
Base-Base interactions energy: -479.841
where: short stacking energy: -195.871
Base-Backbone interact. energy: -0.750
local terms energy: -198.487905
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -37.325
flat angles C4'-P-C4' energy: -43.566
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -56.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -596.816607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.816607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.816607 (E_RNA)
where:
Base-Base interactions energy: -423.055
where: short stacking energy: -179.317
Base-Backbone interact. energy: -0.026
local terms energy: -173.735632
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -31.795
flat angles C4'-P-C4' energy: -36.794
flat angles P-C4'-P energy: -19.131
tors. eta vs tors. theta energy: -49.901
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: 6, replica: 4
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -640.105885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.105885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.105885 (E_RNA)
where:
Base-Base interactions energy: -443.284
where: short stacking energy: -167.572
Base-Backbone interact. energy: -0.235
local terms energy: -196.587276
where:
bonds (distance) C4'-P energy: -37.379
bonds (distance) P-C4' energy: -41.419
flat angles C4'-P-C4' energy: -40.188
flat angles P-C4'-P energy: -28.334
tors. eta vs tors. theta energy: -49.267
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: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -496.518709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.518709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.518709 (E_RNA)
where:
Base-Base interactions energy: -333.752
where: short stacking energy: -147.730
Base-Backbone interact. energy: -1.493
local terms energy: -161.273779
where:
bonds (distance) C4'-P energy: -30.476
bonds (distance) P-C4' energy: -29.404
flat angles C4'-P-C4' energy: -46.690
flat angles P-C4'-P energy: -28.820
tors. eta vs tors. theta energy: -25.883
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: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -407.318502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.318502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.318502 (E_RNA)
where:
Base-Base interactions energy: -248.424
where: short stacking energy: -125.597
Base-Backbone interact. energy: -1.568
local terms energy: -157.326732
where:
bonds (distance) C4'-P energy: -37.673
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -36.084
flat angles P-C4'-P energy: -29.717
tors. eta vs tors. theta energy: -20.510
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: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -329.308621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.308621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.308621 (E_RNA)
where:
Base-Base interactions energy: -177.260
where: short stacking energy: -80.617
Base-Backbone interact. energy: -2.452
local terms energy: -149.596199
where:
bonds (distance) C4'-P energy: -36.637
bonds (distance) P-C4' energy: -43.563
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -198.562742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.562742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.562742 (E_RNA)
where:
Base-Base interactions energy: -68.566
where: short stacking energy: -66.035
Base-Backbone interact. energy: -0.304
local terms energy: -129.692939
where:
bonds (distance) C4'-P energy: -35.418
bonds (distance) P-C4' energy: -32.607
flat angles C4'-P-C4' energy: -31.742
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -777.369596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.369596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.369596 (E_RNA)
where:
Base-Base interactions energy: -544.387
where: short stacking energy: -226.955
Base-Backbone interact. energy: -2.313
local terms energy: -230.669811
where:
bonds (distance) C4'-P energy: -39.427
bonds (distance) P-C4' energy: -44.674
flat angles C4'-P-C4' energy: -49.582
flat angles P-C4'-P energy: -24.955
tors. eta vs tors. theta energy: -72.032
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: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -723.722607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.722607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.722607 (E_RNA)
where:
Base-Base interactions energy: -489.344
where: short stacking energy: -220.742
Base-Backbone interact. energy: -0.252
local terms energy: -234.126505
where:
bonds (distance) C4'-P energy: -39.872
bonds (distance) P-C4' energy: -41.780
flat angles C4'-P-C4' energy: -48.496
flat angles P-C4'-P energy: -35.081
tors. eta vs tors. theta energy: -68.898
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: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -713.010252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.010252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.010252 (E_RNA)
where:
Base-Base interactions energy: -490.482
where: short stacking energy: -191.325
Base-Backbone interact. energy: -0.612
local terms energy: -221.916070
where:
bonds (distance) C4'-P energy: -37.781
bonds (distance) P-C4' energy: -43.307
flat angles C4'-P-C4' energy: -49.518
flat angles P-C4'-P energy: -35.622
tors. eta vs tors. theta energy: -55.688
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: 1
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -636.699180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.699180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.699180 (E_RNA)
where:
Base-Base interactions energy: -418.025
where: short stacking energy: -188.337
Base-Backbone interact. energy: -0.048
local terms energy: -218.626811
where:
bonds (distance) C4'-P energy: -37.655
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -49.019
flat angles P-C4'-P energy: -30.711
tors. eta vs tors. theta energy: -58.062
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: 5, replica: 4
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -659.593931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.593931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.593931 (E_RNA)
where:
Base-Base interactions energy: -447.813
where: short stacking energy: -196.098
Base-Backbone interact. energy: -2.178
local terms energy: -209.603234
where:
bonds (distance) C4'-P energy: -28.802
bonds (distance) P-C4' energy: -43.022
flat angles C4'-P-C4' energy: -48.423
flat angles P-C4'-P energy: -31.850
tors. eta vs tors. theta energy: -57.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -571.138141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.138141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.138141 (E_RNA)
where:
Base-Base interactions energy: -392.543
where: short stacking energy: -184.178
Base-Backbone interact. energy: -1.145
local terms energy: -177.450085
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -38.175
flat angles C4'-P-C4' energy: -39.333
flat angles P-C4'-P energy: -30.658
tors. eta vs tors. theta energy: -42.029
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: 7
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -512.840103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.840103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.840103 (E_RNA)
where:
Base-Base interactions energy: -340.595
where: short stacking energy: -146.805
Base-Backbone interact. energy: -2.434
local terms energy: -169.810501
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -42.246
flat angles P-C4'-P energy: -20.095
tors. eta vs tors. theta energy: -32.567
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: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -404.000049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.000049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.000049 (E_RNA)
where:
Base-Base interactions energy: -253.239
where: short stacking energy: -114.905
Base-Backbone interact. energy: -0.831
local terms energy: -149.929841
where:
bonds (distance) C4'-P energy: -39.361
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -41.983
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -17.021
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: 8
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -311.608950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.608950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.608950 (E_RNA)
where:
Base-Base interactions energy: -173.161
where: short stacking energy: -88.125
Base-Backbone interact. energy: -2.293
local terms energy: -136.154868
where:
bonds (distance) C4'-P energy: -27.290
bonds (distance) P-C4' energy: -45.422
flat angles C4'-P-C4' energy: -26.558
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -12.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -201.741190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.741190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.741190 (E_RNA)
where:
Base-Base interactions energy: -91.498
where: short stacking energy: -54.343
Base-Backbone interact. energy: 0.598
local terms energy: -110.841044
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -45.861
flat angles C4'-P-C4' energy: -41.895
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: 11.030
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: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -759.707918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.707918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.707918 (E_RNA)
where:
Base-Base interactions energy: -537.302
where: short stacking energy: -216.299
Base-Backbone interact. energy: -1.052
local terms energy: -221.353452
where:
bonds (distance) C4'-P energy: -44.804
bonds (distance) P-C4' energy: -41.895
flat angles C4'-P-C4' energy: -36.489
flat angles P-C4'-P energy: -32.075
tors. eta vs tors. theta energy: -66.090
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: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -737.120121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.120121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.120121 (E_RNA)
where:
Base-Base interactions energy: -496.707
where: short stacking energy: -231.558
Base-Backbone interact. energy: -2.051
local terms energy: -238.361796
where:
bonds (distance) C4'-P energy: -41.899
bonds (distance) P-C4' energy: -41.421
flat angles C4'-P-C4' energy: -52.595
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -67.315
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: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -714.152257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.152257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.152257 (E_RNA)
where:
Base-Base interactions energy: -483.495
where: short stacking energy: -214.857
Base-Backbone interact. energy: 0.705
local terms energy: -231.362260
where:
bonds (distance) C4'-P energy: -43.227
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -50.924
flat angles P-C4'-P energy: -30.872
tors. eta vs tors. theta energy: -63.733
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: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -680.959222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.959222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.959222 (E_RNA)
where:
Base-Base interactions energy: -469.578
where: short stacking energy: -196.320
Base-Backbone interact. energy: -0.155
local terms energy: -211.225954
where:
bonds (distance) C4'-P energy: -45.372
bonds (distance) P-C4' energy: -38.650
flat angles C4'-P-C4' energy: -41.396
flat angles P-C4'-P energy: -31.531
tors. eta vs tors. theta energy: -54.277
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: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -618.947376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.947376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.947376 (E_RNA)
where:
Base-Base interactions energy: -412.501
where: short stacking energy: -170.417
Base-Backbone interact. energy: -1.564
local terms energy: -204.882637
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -42.602
flat angles C4'-P-C4' energy: -48.794
flat angles P-C4'-P energy: -37.067
tors. eta vs tors. theta energy: -42.437
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: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -530.124642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.124642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.124642 (E_RNA)
where:
Base-Base interactions energy: -348.286
where: short stacking energy: -150.279
Base-Backbone interact. energy: -0.873
local terms energy: -180.965711
where:
bonds (distance) C4'-P energy: -30.866
bonds (distance) P-C4' energy: -43.016
flat angles C4'-P-C4' energy: -34.757
flat angles P-C4'-P energy: -29.936
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: 7, replica: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -597.310238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.310238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.310238 (E_RNA)
where:
Base-Base interactions energy: -413.246
where: short stacking energy: -176.903
Base-Backbone interact. energy: -1.100
local terms energy: -182.964071
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -36.557
flat angles C4'-P-C4' energy: -48.071
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -49.398
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: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -418.705690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.705690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.705690 (E_RNA)
where:
Base-Base interactions energy: -263.082
where: short stacking energy: -127.510
Base-Backbone interact. energy: -0.566
local terms energy: -155.058137
where:
bonds (distance) C4'-P energy: -32.936
bonds (distance) P-C4' energy: -45.588
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: -24.113
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: 8
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -299.886936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.886936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.886936 (E_RNA)
where:
Base-Base interactions energy: -168.901
where: short stacking energy: -68.336
Base-Backbone interact. energy: -0.971
local terms energy: -130.014925
where:
bonds (distance) C4'-P energy: -32.760
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -38.843
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -0.088
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: 10, replica: 9
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -200.286771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.286771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.286771 (E_RNA)
where:
Base-Base interactions energy: -76.712
where: short stacking energy: -68.708
Base-Backbone interact. energy: -0.008
local terms energy: -123.566821
where:
bonds (distance) C4'-P energy: -37.605
bonds (distance) P-C4' energy: -36.516
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: 5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -752.167952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.167952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.167952 (E_RNA)
where:
Base-Base interactions energy: -524.065
where: short stacking energy: -228.982
Base-Backbone interact. energy: 0.383
local terms energy: -228.485426
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -38.757
flat angles C4'-P-C4' energy: -52.959
flat angles P-C4'-P energy: -24.233
tors. eta vs tors. theta energy: -66.399
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: 188
Temperature: 0.950000
Total energy: -722.305045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.305045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.305045 (E_RNA)
where:
Base-Base interactions energy: -493.828
where: short stacking energy: -218.967
Base-Backbone interact. energy: -0.849
local terms energy: -227.627712
where:
bonds (distance) C4'-P energy: -45.255
bonds (distance) P-C4' energy: -41.155
flat angles C4'-P-C4' energy: -47.773
flat angles P-C4'-P energy: -31.984
tors. eta vs tors. theta energy: -61.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -712.432257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.432257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.432257 (E_RNA)
where:
Base-Base interactions energy: -483.670
where: short stacking energy: -213.055
Base-Backbone interact. energy: 0.357
local terms energy: -229.119194
where:
bonds (distance) C4'-P energy: -40.402
bonds (distance) P-C4' energy: -45.047
flat angles C4'-P-C4' energy: -50.075
flat angles P-C4'-P energy: -30.899
tors. eta vs tors. theta energy: -62.696
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: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -676.721155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.721155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.721155 (E_RNA)
where:
Base-Base interactions energy: -464.934
where: short stacking energy: -194.986
Base-Backbone interact. energy: -0.700
local terms energy: -211.086733
where:
bonds (distance) C4'-P energy: -45.329
bonds (distance) P-C4' energy: -38.266
flat angles C4'-P-C4' energy: -44.121
flat angles P-C4'-P energy: -29.036
tors. eta vs tors. theta energy: -54.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -613.931459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.931459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.931459 (E_RNA)
where:
Base-Base interactions energy: -415.201
where: short stacking energy: -195.154
Base-Backbone interact. energy: -0.573
local terms energy: -198.156820
where:
bonds (distance) C4'-P energy: -38.726
bonds (distance) P-C4' energy: -39.920
flat angles C4'-P-C4' energy: -44.936
flat angles P-C4'-P energy: -23.796
tors. eta vs tors. theta energy: -50.779
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: 7
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -543.240755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.240755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.240755 (E_RNA)
where:
Base-Base interactions energy: -354.931
where: short stacking energy: -164.664
Base-Backbone interact. energy: -0.459
local terms energy: -187.850595
where:
bonds (distance) C4'-P energy: -35.330
bonds (distance) P-C4' energy: -43.570
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -26.125
tors. eta vs tors. theta energy: -39.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -551.259621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.259621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.259621 (E_RNA)
where:
Base-Base interactions energy: -356.418
where: short stacking energy: -148.195
Base-Backbone interact. energy: -0.678
local terms energy: -194.163740
where:
bonds (distance) C4'-P energy: -39.807
bonds (distance) P-C4' energy: -40.792
flat angles C4'-P-C4' energy: -43.860
flat angles P-C4'-P energy: -31.787
tors. eta vs tors. theta energy: -37.917
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: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -428.017059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.017059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.017059 (E_RNA)
where:
Base-Base interactions energy: -267.403
where: short stacking energy: -137.724
Base-Backbone interact. energy: 1.485
local terms energy: -162.098776
where:
bonds (distance) C4'-P energy: -36.581
bonds (distance) P-C4' energy: -41.864
flat angles C4'-P-C4' energy: -36.691
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -22.275
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: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -211.619183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.619183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.619183 (E_RNA)
where:
Base-Base interactions energy: -88.332
where: short stacking energy: -87.275
Base-Backbone interact. energy: 1.680
local terms energy: -124.967724
where:
bonds (distance) C4'-P energy: -27.345
bonds (distance) P-C4' energy: -34.313
flat angles C4'-P-C4' energy: -32.307
flat angles P-C4'-P energy: -24.074
tors. eta vs tors. theta energy: -6.928
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: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -296.382341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.382341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.382341 (E_RNA)
where:
Base-Base interactions energy: -168.347
where: short stacking energy: -83.859
Base-Backbone interact. energy: 0.204
local terms energy: -128.239394
where:
bonds (distance) C4'-P energy: -29.850
bonds (distance) P-C4' energy: -32.561
flat angles C4'-P-C4' energy: -29.049
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -10.576
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: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -756.432652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.432652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.432652 (E_RNA)
where:
Base-Base interactions energy: -520.178
where: short stacking energy: -227.476
Base-Backbone interact. energy: -1.074
local terms energy: -235.180636
where:
bonds (distance) C4'-P energy: -50.662
bonds (distance) P-C4' energy: -42.566
flat angles C4'-P-C4' energy: -47.742
flat angles P-C4'-P energy: -26.974
tors. eta vs tors. theta energy: -67.237
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: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -703.176430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.176430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.176430 (E_RNA)
where:
Base-Base interactions energy: -474.476
where: short stacking energy: -186.398
Base-Backbone interact. energy: -0.836
local terms energy: -227.864346
where:
bonds (distance) C4'-P energy: -43.411
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -46.769
flat angles P-C4'-P energy: -37.477
tors. eta vs tors. theta energy: -56.583
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: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -724.609817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.609817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.609817 (E_RNA)
where:
Base-Base interactions energy: -495.184
where: short stacking energy: -223.969
Base-Backbone interact. energy: -0.185
local terms energy: -229.241061
where:
bonds (distance) C4'-P energy: -36.904
bonds (distance) P-C4' energy: -45.945
flat angles C4'-P-C4' energy: -52.905
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -61.472
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: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -688.157799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.157799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.157799 (E_RNA)
where:
Base-Base interactions energy: -480.411
where: short stacking energy: -225.753
Base-Backbone interact. energy: -1.457
local terms energy: -206.289382
where:
bonds (distance) C4'-P energy: -36.541
bonds (distance) P-C4' energy: -37.498
flat angles C4'-P-C4' energy: -42.105
flat angles P-C4'-P energy: -33.211
tors. eta vs tors. theta energy: -56.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -625.688689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.688689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.688689 (E_RNA)
where:
Base-Base interactions energy: -420.876
where: short stacking energy: -189.591
Base-Backbone interact. energy: -0.491
local terms energy: -204.321427
where:
bonds (distance) C4'-P energy: -38.430
bonds (distance) P-C4' energy: -38.644
flat angles C4'-P-C4' energy: -41.744
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -60.547
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: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -533.608759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.608759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.608759 (E_RNA)
where:
Base-Base interactions energy: -351.589
where: short stacking energy: -165.075
Base-Backbone interact. energy: 2.632
local terms energy: -184.651035
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -45.924
flat angles P-C4'-P energy: -29.359
tors. eta vs tors. theta energy: -36.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -526.009846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.009846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.009846 (E_RNA)
where:
Base-Base interactions energy: -343.084
where: short stacking energy: -167.765
Base-Backbone interact. energy: -0.555
local terms energy: -182.370500
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -41.143
flat angles P-C4'-P energy: -22.762
tors. eta vs tors. theta energy: -47.808
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: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -440.390089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.390089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.390089 (E_RNA)
where:
Base-Base interactions energy: -281.804
where: short stacking energy: -142.352
Base-Backbone interact. energy: -0.297
local terms energy: -158.288213
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -37.466
flat angles P-C4'-P energy: -25.161
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: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -224.497510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.497510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.497510 (E_RNA)
where:
Base-Base interactions energy: -101.394
where: short stacking energy: -74.272
Base-Backbone interact. energy: 2.930
local terms energy: -126.033299
where:
bonds (distance) C4'-P energy: -35.440
bonds (distance) P-C4' energy: -44.131
flat angles C4'-P-C4' energy: -27.075
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: 0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -300.108032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.108032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.108032 (E_RNA)
where:
Base-Base interactions energy: -166.528
where: short stacking energy: -94.839
Base-Backbone interact. energy: 1.094
local terms energy: -134.673574
where:
bonds (distance) C4'-P energy: -32.814
bonds (distance) P-C4' energy: -40.277
flat angles C4'-P-C4' energy: -24.957
flat angles P-C4'-P energy: -19.196
tors. eta vs tors. theta energy: -17.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -763.731303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.731303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.731303 (E_RNA)
where:
Base-Base interactions energy: -542.274
where: short stacking energy: -228.629
Base-Backbone interact. energy: -1.104
local terms energy: -220.352929
where:
bonds (distance) C4'-P energy: -42.680
bonds (distance) P-C4' energy: -42.608
flat angles C4'-P-C4' energy: -42.654
flat angles P-C4'-P energy: -22.614
tors. eta vs tors. theta energy: -69.796
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: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -738.612093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.612093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.612093 (E_RNA)
where:
Base-Base interactions energy: -495.435
where: short stacking energy: -218.090
Base-Backbone interact. energy: -0.912
local terms energy: -242.265550
where:
bonds (distance) C4'-P energy: -49.808
bonds (distance) P-C4' energy: -44.379
flat angles C4'-P-C4' energy: -50.706
flat angles P-C4'-P energy: -31.692
tors. eta vs tors. theta energy: -65.680
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: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -714.731910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.731910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.731910 (E_RNA)
where:
Base-Base interactions energy: -479.208
where: short stacking energy: -218.758
Base-Backbone interact. energy: -1.301
local terms energy: -234.223729
where:
bonds (distance) C4'-P energy: -50.579
bonds (distance) P-C4' energy: -30.633
flat angles C4'-P-C4' energy: -53.989
flat angles P-C4'-P energy: -32.035
tors. eta vs tors. theta energy: -66.988
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: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -689.643157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.643157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.643157 (E_RNA)
where:
Base-Base interactions energy: -466.638
where: short stacking energy: -208.043
Base-Backbone interact. energy: -2.006
local terms energy: -220.999269
where:
bonds (distance) C4'-P energy: -36.578
bonds (distance) P-C4' energy: -36.667
flat angles C4'-P-C4' energy: -47.508
flat angles P-C4'-P energy: -41.013
tors. eta vs tors. theta energy: -59.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -613.058641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.058641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.058641 (E_RNA)
where:
Base-Base interactions energy: -419.043
where: short stacking energy: -174.618
Base-Backbone interact. energy: -0.083
local terms energy: -193.933040
where:
bonds (distance) C4'-P energy: -35.583
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -41.189
flat angles P-C4'-P energy: -27.890
tors. eta vs tors. theta energy: -55.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -530.136837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.136837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.136837 (E_RNA)
where:
Base-Base interactions energy: -343.984
where: short stacking energy: -157.313
Base-Backbone interact. energy: 0.938
local terms energy: -187.090815
where:
bonds (distance) C4'-P energy: -34.572
bonds (distance) P-C4' energy: -43.487
flat angles C4'-P-C4' energy: -40.802
flat angles P-C4'-P energy: -28.757
tors. eta vs tors. theta energy: -39.473
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: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -514.639909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.639909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.639909 (E_RNA)
where:
Base-Base interactions energy: -329.290
where: short stacking energy: -146.702
Base-Backbone interact. energy: -0.679
local terms energy: -184.670944
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -43.803
flat angles C4'-P-C4' energy: -36.834
flat angles P-C4'-P energy: -32.941
tors. eta vs tors. theta energy: -30.491
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: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -401.264501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.264501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.264501 (E_RNA)
where:
Base-Base interactions energy: -237.778
where: short stacking energy: -108.734
Base-Backbone interact. energy: 0.513
local terms energy: -163.999655
where:
bonds (distance) C4'-P energy: -35.720
bonds (distance) P-C4' energy: -42.670
flat angles C4'-P-C4' energy: -39.109
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -294.146242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.146242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.146242 (E_RNA)
where:
Base-Base interactions energy: -151.955
where: short stacking energy: -87.555
Base-Backbone interact. energy: -0.925
local terms energy: -141.266653
where:
bonds (distance) C4'-P energy: -36.686
bonds (distance) P-C4' energy: -37.189
flat angles C4'-P-C4' energy: -37.846
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -6.186
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: 10, replica: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -203.236825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.236825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.236825 (E_RNA)
where:
Base-Base interactions energy: -79.017
where: short stacking energy: -77.435
Base-Backbone interact. energy: -0.285
local terms energy: -123.935174
where:
bonds (distance) C4'-P energy: -38.432
bonds (distance) P-C4' energy: -36.314
flat angles C4'-P-C4' energy: -27.154
flat angles P-C4'-P energy: -17.208
tors. eta vs tors. theta energy: -4.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -766.304856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.304856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.304856 (E_RNA)
where:
Base-Base interactions energy: -534.708
where: short stacking energy: -232.050
Base-Backbone interact. energy: -1.940
local terms energy: -229.656498
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -40.996
flat angles C4'-P-C4' energy: -46.449
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -65.840
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: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -714.579111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.579111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.579111 (E_RNA)
where:
Base-Base interactions energy: -485.856
where: short stacking energy: -215.964
Base-Backbone interact. energy: -0.656
local terms energy: -228.067345
where:
bonds (distance) C4'-P energy: -39.781
bonds (distance) P-C4' energy: -40.982
flat angles C4'-P-C4' energy: -52.907
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -60.691
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: 3, replica: 2
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -713.438792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.438792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.438792 (E_RNA)
where:
Base-Base interactions energy: -486.024
where: short stacking energy: -208.332
Base-Backbone interact. energy: 0.192
local terms energy: -227.606858
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -47.906
flat angles C4'-P-C4' energy: -43.017
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -67.812
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: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -693.937138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.937138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.937138 (E_RNA)
where:
Base-Base interactions energy: -472.997
where: short stacking energy: -198.109
Base-Backbone interact. energy: -0.605
local terms energy: -220.334801
where:
bonds (distance) C4'-P energy: -49.597
bonds (distance) P-C4' energy: -39.751
flat angles C4'-P-C4' energy: -46.587
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: -54.445
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: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -614.415500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.415500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.415500 (E_RNA)
where:
Base-Base interactions energy: -416.907
where: short stacking energy: -203.474
Base-Backbone interact. energy: -1.174
local terms energy: -196.333775
where:
bonds (distance) C4'-P energy: -35.242
bonds (distance) P-C4' energy: -37.285
flat angles C4'-P-C4' energy: -39.768
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -53.671
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: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -538.846707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.846707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.846707 (E_RNA)
where:
Base-Base interactions energy: -344.699
where: short stacking energy: -146.668
Base-Backbone interact. energy: -1.109
local terms energy: -193.038415
where:
bonds (distance) C4'-P energy: -40.057
bonds (distance) P-C4' energy: -46.911
flat angles C4'-P-C4' energy: -42.182
flat angles P-C4'-P energy: -28.300
tors. eta vs tors. theta energy: -35.588
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: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -512.341697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.341697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.341697 (E_RNA)
where:
Base-Base interactions energy: -338.206
where: short stacking energy: -143.827
Base-Backbone interact. energy: -0.517
local terms energy: -173.619225
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -43.241
flat angles C4'-P-C4' energy: -38.594
flat angles P-C4'-P energy: -28.101
tors. eta vs tors. theta energy: -34.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -316.914941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.914941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.914941 (E_RNA)
where:
Base-Base interactions energy: -165.257
where: short stacking energy: -93.615
Base-Backbone interact. energy: -0.165
local terms energy: -151.492644
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -36.959
flat angles C4'-P-C4' energy: -39.364
flat angles P-C4'-P energy: -25.525
tors. eta vs tors. theta energy: -14.744
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: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -392.174028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.174028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.174028 (E_RNA)
where:
Base-Base interactions energy: -241.342
where: short stacking energy: -144.369
Base-Backbone interact. energy: -1.473
local terms energy: -149.359130
where:
bonds (distance) C4'-P energy: -38.655
bonds (distance) P-C4' energy: -28.054
flat angles C4'-P-C4' energy: -35.627
flat angles P-C4'-P energy: -16.083
tors. eta vs tors. theta energy: -30.941
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: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -196.498661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.498661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.498661 (E_RNA)
where:
Base-Base interactions energy: -72.427
where: short stacking energy: -59.949
Base-Backbone interact. energy: -1.978
local terms energy: -122.093989
where:
bonds (distance) C4'-P energy: -43.143
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: 0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -761.532145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.532145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.532145 (E_RNA)
where:
Base-Base interactions energy: -522.562
where: short stacking energy: -223.784
Base-Backbone interact. energy: -1.812
local terms energy: -237.158704
where:
bonds (distance) C4'-P energy: -47.142
bonds (distance) P-C4' energy: -43.685
flat angles C4'-P-C4' energy: -47.363
flat angles P-C4'-P energy: -28.566
tors. eta vs tors. theta energy: -70.402
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: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -738.960153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.960153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.960153 (E_RNA)
where:
Base-Base interactions energy: -503.408
where: short stacking energy: -215.942
Base-Backbone interact. energy: -0.339
local terms energy: -235.213197
where:
bonds (distance) C4'-P energy: -48.103
bonds (distance) P-C4' energy: -43.001
flat angles C4'-P-C4' energy: -50.657
flat angles P-C4'-P energy: -29.384
tors. eta vs tors. theta energy: -64.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -700.602985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.602985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.602985 (E_RNA)
where:
Base-Base interactions energy: -472.744
where: short stacking energy: -216.000
Base-Backbone interact. energy: -0.390
local terms energy: -227.469224
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -41.969
flat angles C4'-P-C4' energy: -48.589
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -69.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -703.034136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.034136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.034136 (E_RNA)
where:
Base-Base interactions energy: -493.253
where: short stacking energy: -205.763
Base-Backbone interact. energy: -1.701
local terms energy: -208.080181
where:
bonds (distance) C4'-P energy: -37.380
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -46.419
flat angles P-C4'-P energy: -34.090
tors. eta vs tors. theta energy: -54.784
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: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -620.022827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.022827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.022827 (E_RNA)
where:
Base-Base interactions energy: -417.379
where: short stacking energy: -204.134
Base-Backbone interact. energy: -1.215
local terms energy: -201.429247
where:
bonds (distance) C4'-P energy: -35.253
bonds (distance) P-C4' energy: -42.122
flat angles C4'-P-C4' energy: -44.708
flat angles P-C4'-P energy: -26.767
tors. eta vs tors. theta energy: -52.581
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: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -549.133742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.133742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.133742 (E_RNA)
where:
Base-Base interactions energy: -359.525
where: short stacking energy: -151.488
Base-Backbone interact. energy: -2.061
local terms energy: -187.547938
where:
bonds (distance) C4'-P energy: -34.773
bonds (distance) P-C4' energy: -41.703
flat angles C4'-P-C4' energy: -41.073
flat angles P-C4'-P energy: -30.841
tors. eta vs tors. theta energy: -39.157
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: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -498.070809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.070809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.070809 (E_RNA)
where:
Base-Base interactions energy: -343.038
where: short stacking energy: -140.938
Base-Backbone interact. energy: -0.751
local terms energy: -154.281956
where:
bonds (distance) C4'-P energy: -38.895
bonds (distance) P-C4' energy: -33.227
flat angles C4'-P-C4' energy: -36.776
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -28.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -314.815421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.815421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.815421 (E_RNA)
where:
Base-Base interactions energy: -153.694
where: short stacking energy: -80.903
Base-Backbone interact. energy: -1.269
local terms energy: -159.852536
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -34.765
flat angles C4'-P-C4' energy: -41.026
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: -16.726
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: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -427.812792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.812792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.812792 (E_RNA)
where:
Base-Base interactions energy: -258.582
where: short stacking energy: -120.121
Base-Backbone interact. energy: -0.410
local terms energy: -168.821021
where:
bonds (distance) C4'-P energy: -39.806
bonds (distance) P-C4' energy: -33.593
flat angles C4'-P-C4' energy: -43.291
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -25.474
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: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -206.616573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.616573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.616573 (E_RNA)
where:
Base-Base interactions energy: -100.580
where: short stacking energy: -67.204
Base-Backbone interact. energy: -0.112
local terms energy: -105.924622
where:
bonds (distance) C4'-P energy: -24.980
bonds (distance) P-C4' energy: -31.876
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: 1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -770.807533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.807533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.807533 (E_RNA)
where:
Base-Base interactions energy: -539.802
where: short stacking energy: -227.078
Base-Backbone interact. energy: -2.106
local terms energy: -228.899116
where:
bonds (distance) C4'-P energy: -44.296
bonds (distance) P-C4' energy: -50.566
flat angles C4'-P-C4' energy: -42.927
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -70.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -732.289382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.289382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.289382 (E_RNA)
where:
Base-Base interactions energy: -506.464
where: short stacking energy: -228.136
Base-Backbone interact. energy: -1.037
local terms energy: -224.788328
where:
bonds (distance) C4'-P energy: -36.643
bonds (distance) P-C4' energy: -41.005
flat angles C4'-P-C4' energy: -50.620
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -62.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -713.567758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.567758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.567758 (E_RNA)
where:
Base-Base interactions energy: -480.310
where: short stacking energy: -216.844
Base-Backbone interact. energy: -0.386
local terms energy: -232.872419
where:
bonds (distance) C4'-P energy: -46.620
bonds (distance) P-C4' energy: -41.902
flat angles C4'-P-C4' energy: -49.558
flat angles P-C4'-P energy: -31.369
tors. eta vs tors. theta energy: -63.423
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: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -686.641194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.641194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.641194 (E_RNA)
where:
Base-Base interactions energy: -471.546
where: short stacking energy: -203.051
Base-Backbone interact. energy: -0.941
local terms energy: -214.153928
where:
bonds (distance) C4'-P energy: -36.812
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -42.647
flat angles P-C4'-P energy: -31.633
tors. eta vs tors. theta energy: -54.848
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: 5, replica: 1
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -599.966900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.966900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.966900 (E_RNA)
where:
Base-Base interactions energy: -397.634
where: short stacking energy: -185.876
Base-Backbone interact. energy: 0.712
local terms energy: -203.045342
where:
bonds (distance) C4'-P energy: -43.922
bonds (distance) P-C4' energy: -40.092
flat angles C4'-P-C4' energy: -44.472
flat angles P-C4'-P energy: -27.414
tors. eta vs tors. theta energy: -47.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -581.023385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.023385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.023385 (E_RNA)
where:
Base-Base interactions energy: -397.082
where: short stacking energy: -166.111
Base-Backbone interact. energy: -1.491
local terms energy: -182.450108
where:
bonds (distance) C4'-P energy: -38.052
bonds (distance) P-C4' energy: -45.530
flat angles C4'-P-C4' energy: -39.459
flat angles P-C4'-P energy: -20.047
tors. eta vs tors. theta energy: -39.362
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: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -543.607906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.607906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.607906 (E_RNA)
where:
Base-Base interactions energy: -363.968
where: short stacking energy: -177.467
Base-Backbone interact. energy: -0.672
local terms energy: -178.967479
where:
bonds (distance) C4'-P energy: -33.141
bonds (distance) P-C4' energy: -34.576
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -32.002
tors. eta vs tors. theta energy: -42.950
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: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -393.313660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.313660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.313660 (E_RNA)
where:
Base-Base interactions energy: -252.808
where: short stacking energy: -123.973
Base-Backbone interact. energy: 2.498
local terms energy: -143.003301
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -38.879
flat angles C4'-P-C4' energy: -28.767
flat angles P-C4'-P energy: -20.381
tors. eta vs tors. theta energy: -21.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -324.186177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.186177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.186177 (E_RNA)
where:
Base-Base interactions energy: -183.525
where: short stacking energy: -95.400
Base-Backbone interact. energy: -0.995
local terms energy: -139.666216
where:
bonds (distance) C4'-P energy: -31.873
bonds (distance) P-C4' energy: -36.802
flat angles C4'-P-C4' energy: -35.185
flat angles P-C4'-P energy: -18.716
tors. eta vs tors. theta energy: -17.090
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: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -200.067538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.067538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.067538 (E_RNA)
where:
Base-Base interactions energy: -70.409
where: short stacking energy: -53.303
Base-Backbone interact. energy: 2.200
local terms energy: -131.858000
where:
bonds (distance) C4'-P energy: -32.805
bonds (distance) P-C4' energy: -41.504
flat angles C4'-P-C4' energy: -39.828
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: 0.178
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: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -764.284917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.284917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.284917 (E_RNA)
where:
Base-Base interactions energy: -529.345
where: short stacking energy: -232.920
Base-Backbone interact. energy: -0.813
local terms energy: -234.127027
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -41.850
flat angles C4'-P-C4' energy: -47.137
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: -70.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -720.152777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.152777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.152777 (E_RNA)
where:
Base-Base interactions energy: -492.185
where: short stacking energy: -214.723
Base-Backbone interact. energy: -0.746
local terms energy: -227.221995
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -41.676
flat angles C4'-P-C4' energy: -39.495
flat angles P-C4'-P energy: -38.838
tors. eta vs tors. theta energy: -61.251
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: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -711.988731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.988731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.988731 (E_RNA)
where:
Base-Base interactions energy: -497.357
where: short stacking energy: -221.676
Base-Backbone interact. energy: -0.379
local terms energy: -214.252192
where:
bonds (distance) C4'-P energy: -36.980
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -52.397
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: -59.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -711.306287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.306287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.306287 (E_RNA)
where:
Base-Base interactions energy: -484.837
where: short stacking energy: -200.660
Base-Backbone interact. energy: -0.161
local terms energy: -226.308243
where:
bonds (distance) C4'-P energy: -43.030
bonds (distance) P-C4' energy: -40.210
flat angles C4'-P-C4' energy: -51.105
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -58.086
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: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -582.049744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.049744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.049744 (E_RNA)
where:
Base-Base interactions energy: -390.674
where: short stacking energy: -170.267
Base-Backbone interact. energy: 1.118
local terms energy: -192.493187
where:
bonds (distance) C4'-P energy: -32.799
bonds (distance) P-C4' energy: -46.695
flat angles C4'-P-C4' energy: -49.153
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -43.170
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: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -594.581670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.581670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.581670 (E_RNA)
where:
Base-Base interactions energy: -404.275
where: short stacking energy: -181.239
Base-Backbone interact. energy: 0.965
local terms energy: -191.271496
where:
bonds (distance) C4'-P energy: -40.231
bonds (distance) P-C4' energy: -31.671
flat angles C4'-P-C4' energy: -41.742
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -48.711
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: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -516.780650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.780650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.780650 (E_RNA)
where:
Base-Base interactions energy: -350.985
where: short stacking energy: -161.008
Base-Backbone interact. energy: 0.860
local terms energy: -166.655333
where:
bonds (distance) C4'-P energy: -36.542
bonds (distance) P-C4' energy: -39.601
flat angles C4'-P-C4' energy: -33.653
flat angles P-C4'-P energy: -17.596
tors. eta vs tors. theta energy: -39.263
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: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -387.520569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.520569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.520569 (E_RNA)
where:
Base-Base interactions energy: -251.141
where: short stacking energy: -133.348
Base-Backbone interact. energy: -0.612
local terms energy: -135.767844
where:
bonds (distance) C4'-P energy: -27.131
bonds (distance) P-C4' energy: -35.226
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -18.995
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: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -358.945007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.945007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.945007 (E_RNA)
where:
Base-Base interactions energy: -219.243
where: short stacking energy: -99.419
Base-Backbone interact. energy: -2.417
local terms energy: -137.284852
where:
bonds (distance) C4'-P energy: -44.272
bonds (distance) P-C4' energy: -31.330
flat angles C4'-P-C4' energy: -31.157
flat angles P-C4'-P energy: -16.744
tors. eta vs tors. theta energy: -13.782
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: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -240.495070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.495070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.495070 (E_RNA)
where:
Base-Base interactions energy: -130.304
where: short stacking energy: -89.636
Base-Backbone interact. energy: -0.121
local terms energy: -110.070256
where:
bonds (distance) C4'-P energy: -36.507
bonds (distance) P-C4' energy: -32.810
flat angles C4'-P-C4' energy: -22.161
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -5.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -753.805848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.805848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.805848 (E_RNA)
where:
Base-Base interactions energy: -526.056
where: short stacking energy: -213.379
Base-Backbone interact. energy: -0.667
local terms energy: -227.082899
where:
bonds (distance) C4'-P energy: -45.614
bonds (distance) P-C4' energy: -45.963
flat angles C4'-P-C4' energy: -45.904
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -65.484
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: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -744.685281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.685281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.685281 (E_RNA)
where:
Base-Base interactions energy: -511.039
where: short stacking energy: -222.863
Base-Backbone interact. energy: 0.106
local terms energy: -233.752377
where:
bonds (distance) C4'-P energy: -43.905
bonds (distance) P-C4' energy: -46.441
flat angles C4'-P-C4' energy: -48.098
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -68.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -709.879080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.879080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.879080 (E_RNA)
where:
Base-Base interactions energy: -478.958
where: short stacking energy: -211.694
Base-Backbone interact. energy: -0.677
local terms energy: -230.244058
where:
bonds (distance) C4'-P energy: -42.722
bonds (distance) P-C4' energy: -47.383
flat angles C4'-P-C4' energy: -46.686
flat angles P-C4'-P energy: -29.753
tors. eta vs tors. theta energy: -63.701
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: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -696.052347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.052347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.052347 (E_RNA)
where:
Base-Base interactions energy: -469.153
where: short stacking energy: -204.756
Base-Backbone interact. energy: -1.012
local terms energy: -225.887567
where:
bonds (distance) C4'-P energy: -41.756
bonds (distance) P-C4' energy: -45.339
flat angles C4'-P-C4' energy: -45.162
flat angles P-C4'-P energy: -30.183
tors. eta vs tors. theta energy: -63.447
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: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -621.155408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.155408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.155408 (E_RNA)
where:
Base-Base interactions energy: -420.216
where: short stacking energy: -196.033
Base-Backbone interact. energy: -0.750
local terms energy: -200.190013
where:
bonds (distance) C4'-P energy: -33.534
bonds (distance) P-C4' energy: -37.967
flat angles C4'-P-C4' energy: -45.245
flat angles P-C4'-P energy: -30.679
tors. eta vs tors. theta energy: -52.764
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: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -587.227983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.227983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.227983 (E_RNA)
where:
Base-Base interactions energy: -387.573
where: short stacking energy: -175.593
Base-Backbone interact. energy: -0.942
local terms energy: -198.713464
where:
bonds (distance) C4'-P energy: -35.294
bonds (distance) P-C4' energy: -42.579
flat angles C4'-P-C4' energy: -42.322
flat angles P-C4'-P energy: -32.929
tors. eta vs tors. theta energy: -45.588
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: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -504.282454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.282454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.282454 (E_RNA)
where:
Base-Base interactions energy: -333.727
where: short stacking energy: -137.385
Base-Backbone interact. energy: 1.085
local terms energy: -171.640561
where:
bonds (distance) C4'-P energy: -34.553
bonds (distance) P-C4' energy: -40.599
flat angles C4'-P-C4' energy: -43.357
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -31.714
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: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -401.940701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.940701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.940701 (E_RNA)
where:
Base-Base interactions energy: -237.841
where: short stacking energy: -119.661
Base-Backbone interact. energy: -0.392
local terms energy: -163.707858
where:
bonds (distance) C4'-P energy: -37.152
bonds (distance) P-C4' energy: -39.997
flat angles C4'-P-C4' energy: -40.886
flat angles P-C4'-P energy: -25.626
tors. eta vs tors. theta energy: -20.046
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: 8
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -325.496925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.496925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.496925 (E_RNA)
where:
Base-Base interactions energy: -187.355
where: short stacking energy: -93.411
Base-Backbone interact. energy: -0.883
local terms energy: -137.259390
where:
bonds (distance) C4'-P energy: -40.117
bonds (distance) P-C4' energy: -32.359
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -235.662522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.662522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.662522 (E_RNA)
where:
Base-Base interactions energy: -94.224
where: short stacking energy: -60.003
Base-Backbone interact. energy: 0.154
local terms energy: -141.591983
where:
bonds (distance) C4'-P energy: -39.502
bonds (distance) P-C4' energy: -47.664
flat angles C4'-P-C4' energy: -33.369
flat angles P-C4'-P energy: -25.208
tors. eta vs tors. theta energy: 4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -750.548780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.548780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.548780 (E_RNA)
where:
Base-Base interactions energy: -521.194
where: short stacking energy: -225.713
Base-Backbone interact. energy: 0.036
local terms energy: -229.391108
where:
bonds (distance) C4'-P energy: -39.793
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -51.700
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -62.973
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: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -756.036718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.036718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.036718 (E_RNA)
where:
Base-Base interactions energy: -526.763
where: short stacking energy: -220.560
Base-Backbone interact. energy: -1.016
local terms energy: -228.256949
where:
bonds (distance) C4'-P energy: -46.905
bonds (distance) P-C4' energy: -39.170
flat angles C4'-P-C4' energy: -44.751
flat angles P-C4'-P energy: -27.641
tors. eta vs tors. theta energy: -69.791
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: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -703.204641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.204641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.204641 (E_RNA)
where:
Base-Base interactions energy: -483.693
where: short stacking energy: -209.775
Base-Backbone interact. energy: 0.022
local terms energy: -219.533057
where:
bonds (distance) C4'-P energy: -41.624
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -42.415
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -59.608
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: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -678.199623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.199623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.199623 (E_RNA)
where:
Base-Base interactions energy: -457.282
where: short stacking energy: -198.814
Base-Backbone interact. energy: -0.597
local terms energy: -220.320128
where:
bonds (distance) C4'-P energy: -32.028
bonds (distance) P-C4' energy: -40.398
flat angles C4'-P-C4' energy: -50.333
flat angles P-C4'-P energy: -34.470
tors. eta vs tors. theta energy: -63.091
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: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -628.319267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.319267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.319267 (E_RNA)
where:
Base-Base interactions energy: -421.030
where: short stacking energy: -202.710
Base-Backbone interact. energy: -0.616
local terms energy: -206.673943
where:
bonds (distance) C4'-P energy: -31.313
bonds (distance) P-C4' energy: -38.829
flat angles C4'-P-C4' energy: -48.948
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -60.113
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: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -594.203588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.203588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.203588 (E_RNA)
where:
Base-Base interactions energy: -398.619
where: short stacking energy: -192.026
Base-Backbone interact. energy: -0.045
local terms energy: -195.539713
where:
bonds (distance) C4'-P energy: -32.436
bonds (distance) P-C4' energy: -36.990
flat angles C4'-P-C4' energy: -43.217
flat angles P-C4'-P energy: -24.636
tors. eta vs tors. theta energy: -58.261
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: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -529.360002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.360002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.360002 (E_RNA)
where:
Base-Base interactions energy: -359.568
where: short stacking energy: -166.874
Base-Backbone interact. energy: 0.539
local terms energy: -170.331023
where:
bonds (distance) C4'-P energy: -32.959
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -26.269
tors. eta vs tors. theta energy: -36.287
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: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -405.376785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.376785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.376785 (E_RNA)
where:
Base-Base interactions energy: -251.674
where: short stacking energy: -123.892
Base-Backbone interact. energy: -0.208
local terms energy: -153.494462
where:
bonds (distance) C4'-P energy: -38.766
bonds (distance) P-C4' energy: -36.620
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -20.746
tors. eta vs tors. theta energy: -26.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -341.759528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.759528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.759528 (E_RNA)
where:
Base-Base interactions energy: -198.494
where: short stacking energy: -83.857
Base-Backbone interact. energy: 2.621
local terms energy: -145.887200
where:
bonds (distance) C4'-P energy: -41.238
bonds (distance) P-C4' energy: -41.093
flat angles C4'-P-C4' energy: -37.527
flat angles P-C4'-P energy: -24.119
tors. eta vs tors. theta energy: -1.911
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: 9
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -196.231391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.231391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.231391 (E_RNA)
where:
Base-Base interactions energy: -60.143
where: short stacking energy: -50.047
Base-Backbone interact. energy: -0.889
local terms energy: -135.199214
where:
bonds (distance) C4'-P energy: -40.631
bonds (distance) P-C4' energy: -41.054
flat angles C4'-P-C4' energy: -36.877
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -748.202014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.202014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.202014 (E_RNA)
where:
Base-Base interactions energy: -513.533
where: short stacking energy: -226.970
Base-Backbone interact. energy: -0.684
local terms energy: -233.984859
where:
bonds (distance) C4'-P energy: -39.409
bonds (distance) P-C4' energy: -43.711
flat angles C4'-P-C4' energy: -48.973
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -66.814
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: 6
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -745.921151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.921151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.921151 (E_RNA)
where:
Base-Base interactions energy: -518.544
where: short stacking energy: -211.241
Base-Backbone interact. energy: -1.147
local terms energy: -226.230455
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -44.478
flat angles C4'-P-C4' energy: -45.707
flat angles P-C4'-P energy: -25.659
tors. eta vs tors. theta energy: -66.551
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: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -707.215609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.215609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.215609 (E_RNA)
where:
Base-Base interactions energy: -477.919
where: short stacking energy: -205.755
Base-Backbone interact. energy: 1.728
local terms energy: -231.024407
where:
bonds (distance) C4'-P energy: -46.159
bonds (distance) P-C4' energy: -48.185
flat angles C4'-P-C4' energy: -46.904
flat angles P-C4'-P energy: -31.567
tors. eta vs tors. theta energy: -58.210
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: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -699.989667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.989667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.989667 (E_RNA)
where:
Base-Base interactions energy: -478.671
where: short stacking energy: -213.177
Base-Backbone interact. energy: -0.401
local terms energy: -220.916941
where:
bonds (distance) C4'-P energy: -47.250
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -47.137
flat angles P-C4'-P energy: -29.763
tors. eta vs tors. theta energy: -58.191
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: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -610.011576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.011576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.011576 (E_RNA)
where:
Base-Base interactions energy: -419.194
where: short stacking energy: -169.251
Base-Backbone interact. energy: 6.500
local terms energy: -197.317509
where:
bonds (distance) C4'-P energy: -38.310
bonds (distance) P-C4' energy: -28.717
flat angles C4'-P-C4' energy: -50.975
flat angles P-C4'-P energy: -32.180
tors. eta vs tors. theta energy: -47.135
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: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -626.402740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.402740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.402740 (E_RNA)
where:
Base-Base interactions energy: -432.051
where: short stacking energy: -192.971
Base-Backbone interact. energy: -2.581
local terms energy: -191.770999
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -40.029
flat angles C4'-P-C4' energy: -37.007
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: -53.469
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: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -527.696517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.696517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.696517 (E_RNA)
where:
Base-Base interactions energy: -345.685
where: short stacking energy: -167.517
Base-Backbone interact. energy: -0.221
local terms energy: -181.789765
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -37.395
flat angles C4'-P-C4' energy: -43.389
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -41.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -379.818682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.818682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.818682 (E_RNA)
where:
Base-Base interactions energy: -224.155
where: short stacking energy: -121.765
Base-Backbone interact. energy: 0.458
local terms energy: -156.121943
where:
bonds (distance) C4'-P energy: -34.414
bonds (distance) P-C4' energy: -35.748
flat angles C4'-P-C4' energy: -38.534
flat angles P-C4'-P energy: -27.694
tors. eta vs tors. theta energy: -19.733
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: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -340.841557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.841557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.841557 (E_RNA)
where:
Base-Base interactions energy: -195.610
where: short stacking energy: -93.618
Base-Backbone interact. energy: -0.156
local terms energy: -145.075763
where:
bonds (distance) C4'-P energy: -31.823
bonds (distance) P-C4' energy: -46.446
flat angles C4'-P-C4' energy: -32.571
flat angles P-C4'-P energy: -26.431
tors. eta vs tors. theta energy: -7.804
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: 9
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -207.111101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.111101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.111101 (E_RNA)
where:
Base-Base interactions energy: -87.246
where: short stacking energy: -51.270
Base-Backbone interact. energy: -0.271
local terms energy: -119.594526
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: 0.469
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: 1, replica: 6
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -756.984172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.984172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.984172 (E_RNA)
where:
Base-Base interactions energy: -514.598
where: short stacking energy: -223.080
Base-Backbone interact. energy: -2.120
local terms energy: -240.266462
where:
bonds (distance) C4'-P energy: -45.832
bonds (distance) P-C4' energy: -47.306
flat angles C4'-P-C4' energy: -50.557
flat angles P-C4'-P energy: -33.326
tors. eta vs tors. theta energy: -63.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -732.733132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.733132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.733132 (E_RNA)
where:
Base-Base interactions energy: -512.483
where: short stacking energy: -217.959
Base-Backbone interact. energy: -0.405
local terms energy: -219.844669
where:
bonds (distance) C4'-P energy: -41.170
bonds (distance) P-C4' energy: -43.832
flat angles C4'-P-C4' energy: -47.518
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -62.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -712.077459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.077459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.077459 (E_RNA)
where:
Base-Base interactions energy: -495.614
where: short stacking energy: -216.916
Base-Backbone interact. energy: -2.280
local terms energy: -214.183167
where:
bonds (distance) C4'-P energy: -42.463
bonds (distance) P-C4' energy: -39.410
flat angles C4'-P-C4' energy: -43.037
flat angles P-C4'-P energy: -33.390
tors. eta vs tors. theta energy: -55.882
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: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -692.471695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.471695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.471695 (E_RNA)
where:
Base-Base interactions energy: -463.831
where: short stacking energy: -211.105
Base-Backbone interact. energy: -0.684
local terms energy: -227.956302
where:
bonds (distance) C4'-P energy: -46.079
bonds (distance) P-C4' energy: -41.280
flat angles C4'-P-C4' energy: -49.252
flat angles P-C4'-P energy: -28.871
tors. eta vs tors. theta energy: -62.473
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: 5, replica: 1
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -586.685235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.685235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.685235 (E_RNA)
where:
Base-Base interactions energy: -386.233
where: short stacking energy: -180.782
Base-Backbone interact. energy: -0.449
local terms energy: -200.003221
where:
bonds (distance) C4'-P energy: -33.746
bonds (distance) P-C4' energy: -44.187
flat angles C4'-P-C4' energy: -44.035
flat angles P-C4'-P energy: -25.681
tors. eta vs tors. theta energy: -52.354
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: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -612.300890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.300890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.300890 (E_RNA)
where:
Base-Base interactions energy: -414.360
where: short stacking energy: -173.762
Base-Backbone interact. energy: -0.845
local terms energy: -197.096030
where:
bonds (distance) C4'-P energy: -38.235
bonds (distance) P-C4' energy: -43.076
flat angles C4'-P-C4' energy: -46.950
flat angles P-C4'-P energy: -26.978
tors. eta vs tors. theta energy: -41.858
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: 7
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -563.863373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.863373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.863373 (E_RNA)
where:
Base-Base interactions energy: -381.965
where: short stacking energy: -167.720
Base-Backbone interact. energy: 0.155
local terms energy: -182.052738
where:
bonds (distance) C4'-P energy: -40.722
bonds (distance) P-C4' energy: -38.497
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -30.089
tors. eta vs tors. theta energy: -40.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -362.826313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.826313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.826313 (E_RNA)
where:
Base-Base interactions energy: -229.493
where: short stacking energy: -118.099
Base-Backbone interact. energy: 1.354
local terms energy: -134.687434
where:
bonds (distance) C4'-P energy: -36.043
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -35.652
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -405.456647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.456647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.456647 (E_RNA)
where:
Base-Base interactions energy: -230.618
where: short stacking energy: -119.827
Base-Backbone interact. energy: -0.020
local terms energy: -174.819055
where:
bonds (distance) C4'-P energy: -38.654
bonds (distance) P-C4' energy: -44.314
flat angles C4'-P-C4' energy: -35.330
flat angles P-C4'-P energy: -33.714
tors. eta vs tors. theta energy: -22.807
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: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -190.014628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.014628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.014628 (E_RNA)
where:
Base-Base interactions energy: -78.551
where: short stacking energy: -57.568
Base-Backbone interact. energy: -1.183
local terms energy: -110.280541
where:
bonds (distance) C4'-P energy: -24.551
bonds (distance) P-C4' energy: -36.805
flat angles C4'-P-C4' energy: -38.200
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: 3.855
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: 6
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -756.283121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.283121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.283121 (E_RNA)
where:
Base-Base interactions energy: -533.872
where: short stacking energy: -231.113
Base-Backbone interact. energy: -0.731
local terms energy: -221.680047
where:
bonds (distance) C4'-P energy: -49.937
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -22.950
tors. eta vs tors. theta energy: -69.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -759.009276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.009276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.009276 (E_RNA)
where:
Base-Base interactions energy: -527.948
where: short stacking energy: -214.311
Base-Backbone interact. energy: -0.515
local terms energy: -230.545566
where:
bonds (distance) C4'-P energy: -46.638
bonds (distance) P-C4' energy: -43.684
flat angles C4'-P-C4' energy: -43.246
flat angles P-C4'-P energy: -32.780
tors. eta vs tors. theta energy: -64.198
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: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -702.290108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.290108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.290108 (E_RNA)
where:
Base-Base interactions energy: -489.490
where: short stacking energy: -215.827
Base-Backbone interact. energy: -1.551
local terms energy: -211.248991
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -38.915
flat angles C4'-P-C4' energy: -48.493
flat angles P-C4'-P energy: -29.283
tors. eta vs tors. theta energy: -56.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -697.000765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.000765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.000765 (E_RNA)
where:
Base-Base interactions energy: -476.193
where: short stacking energy: -215.724
Base-Backbone interact. energy: -0.169
local terms energy: -220.639120
where:
bonds (distance) C4'-P energy: -38.379
bonds (distance) P-C4' energy: -41.307
flat angles C4'-P-C4' energy: -43.310
flat angles P-C4'-P energy: -29.227
tors. eta vs tors. theta energy: -68.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -602.400809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.400809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.400809 (E_RNA)
where:
Base-Base interactions energy: -396.293
where: short stacking energy: -180.597
Base-Backbone interact. energy: -1.807
local terms energy: -204.300340
where:
bonds (distance) C4'-P energy: -28.905
bonds (distance) P-C4' energy: -43.618
flat angles C4'-P-C4' energy: -51.648
flat angles P-C4'-P energy: -25.467
tors. eta vs tors. theta energy: -54.663
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: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -561.704531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.704531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.704531 (E_RNA)
where:
Base-Base interactions energy: -373.406
where: short stacking energy: -170.063
Base-Backbone interact. energy: -1.541
local terms energy: -186.758072
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -39.796
flat angles C4'-P-C4' energy: -43.623
flat angles P-C4'-P energy: -30.952
tors. eta vs tors. theta energy: -33.736
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: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -598.783742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.783742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.783742 (E_RNA)
where:
Base-Base interactions energy: -400.594
where: short stacking energy: -182.127
Base-Backbone interact. energy: -0.511
local terms energy: -197.678925
where:
bonds (distance) C4'-P energy: -47.609
bonds (distance) P-C4' energy: -38.261
flat angles C4'-P-C4' energy: -39.112
flat angles P-C4'-P energy: -28.019
tors. eta vs tors. theta energy: -44.678
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: 8
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -351.382369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.382369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.382369 (E_RNA)
where:
Base-Base interactions energy: -200.262
where: short stacking energy: -94.617
Base-Backbone interact. energy: -0.555
local terms energy: -150.565703
where:
bonds (distance) C4'-P energy: -38.164
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -39.084
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -391.321523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.321523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.321523 (E_RNA)
where:
Base-Base interactions energy: -247.962
where: short stacking energy: -106.515
Base-Backbone interact. energy: -1.455
local terms energy: -141.904374
where:
bonds (distance) C4'-P energy: -33.962
bonds (distance) P-C4' energy: -37.723
flat angles C4'-P-C4' energy: -32.731
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -18.388
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: 199
Temperature: 1.350000
Total energy: -214.609866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.609866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.609866 (E_RNA)
where:
Base-Base interactions energy: -80.437
where: short stacking energy: -69.512
Base-Backbone interact. energy: 1.571
local terms energy: -135.743880
where:
bonds (distance) C4'-P energy: -39.654
bonds (distance) P-C4' energy: -39.676
flat angles C4'-P-C4' energy: -36.438
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -2.150
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: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -746.367566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.367566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.367566 (E_RNA)
where:
Base-Base interactions energy: -516.115
where: short stacking energy: -213.324
Base-Backbone interact. energy: -0.913
local terms energy: -229.338860
where:
bonds (distance) C4'-P energy: -46.980
bonds (distance) P-C4' energy: -45.963
flat angles C4'-P-C4' energy: -46.336
flat angles P-C4'-P energy: -31.000
tors. eta vs tors. theta energy: -59.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -731.113904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.113904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.113904 (E_RNA)
where:
Base-Base interactions energy: -515.155
where: short stacking energy: -215.806
Base-Backbone interact. energy: 1.686
local terms energy: -217.644265
where:
bonds (distance) C4'-P energy: -31.920
bonds (distance) P-C4' energy: -41.296
flat angles C4'-P-C4' energy: -41.709
flat angles P-C4'-P energy: -38.178
tors. eta vs tors. theta energy: -64.542
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: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -709.399069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.399069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.399069 (E_RNA)
where:
Base-Base interactions energy: -484.308
where: short stacking energy: -215.720
Base-Backbone interact. energy: -0.250
local terms energy: -224.841655
where:
bonds (distance) C4'-P energy: -38.506
bonds (distance) P-C4' energy: -47.754
flat angles C4'-P-C4' energy: -46.881
flat angles P-C4'-P energy: -28.904
tors. eta vs tors. theta energy: -62.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -699.342990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.342990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.342990 (E_RNA)
where:
Base-Base interactions energy: -475.856
where: short stacking energy: -202.531
Base-Backbone interact. energy: -0.332
local terms energy: -223.154737
where:
bonds (distance) C4'-P energy: -43.121
bonds (distance) P-C4' energy: -44.805
flat angles C4'-P-C4' energy: -39.612
flat angles P-C4'-P energy: -35.592
tors. eta vs tors. theta energy: -60.024
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: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -595.434770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.434770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.434770 (E_RNA)
where:
Base-Base interactions energy: -387.573
where: short stacking energy: -173.602
Base-Backbone interact. energy: -0.399
local terms energy: -207.463528
where:
bonds (distance) C4'-P energy: -43.860
bonds (distance) P-C4' energy: -42.854
flat angles C4'-P-C4' energy: -45.153
flat angles P-C4'-P energy: -30.342
tors. eta vs tors. theta energy: -45.255
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: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -554.769767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.769767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.769767 (E_RNA)
where:
Base-Base interactions energy: -365.846
where: short stacking energy: -162.707
Base-Backbone interact. energy: -0.494
local terms energy: -188.429245
where:
bonds (distance) C4'-P energy: -43.272
bonds (distance) P-C4' energy: -49.747
flat angles C4'-P-C4' energy: -37.721
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -34.094
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: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -569.569469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.569469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.569469 (E_RNA)
where:
Base-Base interactions energy: -386.979
where: short stacking energy: -176.530
Base-Backbone interact. energy: -1.458
local terms energy: -181.132846
where:
bonds (distance) C4'-P energy: -38.393
bonds (distance) P-C4' energy: -35.033
flat angles C4'-P-C4' energy: -41.038
flat angles P-C4'-P energy: -24.388
tors. eta vs tors. theta energy: -42.280
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: 8
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -376.788775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.788775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.788775 (E_RNA)
where:
Base-Base interactions energy: -222.748
where: short stacking energy: -121.394
Base-Backbone interact. energy: -0.528
local terms energy: -153.512435
where:
bonds (distance) C4'-P energy: -38.976
bonds (distance) P-C4' energy: -44.771
flat angles C4'-P-C4' energy: -32.713
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -23.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -382.902625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.902625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.902625 (E_RNA)
where:
Base-Base interactions energy: -246.522
where: short stacking energy: -118.223
Base-Backbone interact. energy: -0.690
local terms energy: -135.690531
where:
bonds (distance) C4'-P energy: -26.918
bonds (distance) P-C4' energy: -41.831
flat angles C4'-P-C4' energy: -29.178
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -15.761
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: 10, replica: 9
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -196.162151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.162151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.162151 (E_RNA)
where:
Base-Base interactions energy: -67.967
where: short stacking energy: -59.134
Base-Backbone interact. energy: -0.582
local terms energy: -127.613629
where:
bonds (distance) C4'-P energy: -36.383
bonds (distance) P-C4' energy: -41.635
flat angles C4'-P-C4' energy: -34.787
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: 4.837
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: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -758.781844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.781844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.781844 (E_RNA)
where:
Base-Base interactions energy: -518.975
where: short stacking energy: -215.981
Base-Backbone interact. energy: -0.686
local terms energy: -239.120795
where:
bonds (distance) C4'-P energy: -52.040
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -49.397
flat angles P-C4'-P energy: -31.624
tors. eta vs tors. theta energy: -62.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -752.912444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.912444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.912444 (E_RNA)
where:
Base-Base interactions energy: -525.580
where: short stacking energy: -214.821
Base-Backbone interact. energy: 1.096
local terms energy: -228.428194
where:
bonds (distance) C4'-P energy: -41.800
bonds (distance) P-C4' energy: -44.253
flat angles C4'-P-C4' energy: -43.399
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -68.554
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: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -721.182194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.182194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.182194 (E_RNA)
where:
Base-Base interactions energy: -491.956
where: short stacking energy: -204.052
Base-Backbone interact. energy: -1.212
local terms energy: -228.014449
where:
bonds (distance) C4'-P energy: -41.942
bonds (distance) P-C4' energy: -42.268
flat angles C4'-P-C4' energy: -44.752
flat angles P-C4'-P energy: -31.512
tors. eta vs tors. theta energy: -67.540
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: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -671.905269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.905269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.905269 (E_RNA)
where:
Base-Base interactions energy: -468.463
where: short stacking energy: -200.251
Base-Backbone interact. energy: -0.317
local terms energy: -203.125230
where:
bonds (distance) C4'-P energy: -37.525
bonds (distance) P-C4' energy: -33.296
flat angles C4'-P-C4' energy: -45.496
flat angles P-C4'-P energy: -31.630
tors. eta vs tors. theta energy: -55.178
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: 1
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -596.065565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.065565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.065565 (E_RNA)
where:
Base-Base interactions energy: -403.889
where: short stacking energy: -189.251
Base-Backbone interact. energy: 1.054
local terms energy: -193.230673
where:
bonds (distance) C4'-P energy: -37.166
bonds (distance) P-C4' energy: -38.577
flat angles C4'-P-C4' energy: -41.661
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: -46.968
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: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -580.135059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.135059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.135059 (E_RNA)
where:
Base-Base interactions energy: -366.511
where: short stacking energy: -173.598
Base-Backbone interact. energy: -1.255
local terms energy: -212.368936
where:
bonds (distance) C4'-P energy: -38.678
bonds (distance) P-C4' energy: -45.620
flat angles C4'-P-C4' energy: -53.967
flat angles P-C4'-P energy: -25.078
tors. eta vs tors. theta energy: -49.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -513.733094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.733094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.733094 (E_RNA)
where:
Base-Base interactions energy: -340.240
where: short stacking energy: -150.382
Base-Backbone interact. energy: -0.781
local terms energy: -172.712871
where:
bonds (distance) C4'-P energy: -33.769
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -39.792
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -34.599
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: 8, replica: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -370.841074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.841074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.841074 (E_RNA)
where:
Base-Base interactions energy: -209.929
where: short stacking energy: -106.145
Base-Backbone interact. energy: -0.044
local terms energy: -160.867500
where:
bonds (distance) C4'-P energy: -42.069
bonds (distance) P-C4' energy: -41.040
flat angles C4'-P-C4' energy: -33.526
flat angles P-C4'-P energy: -31.997
tors. eta vs tors. theta energy: -12.235
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: 9, replica: 10
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -367.016810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.016810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.016810 (E_RNA)
where:
Base-Base interactions energy: -227.154
where: short stacking energy: -104.520
Base-Backbone interact. energy: -0.417
local terms energy: -139.445510
where:
bonds (distance) C4'-P energy: -31.220
bonds (distance) P-C4' energy: -33.719
flat angles C4'-P-C4' energy: -39.281
flat angles P-C4'-P energy: -16.496
tors. eta vs tors. theta energy: -18.729
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: 10, replica: 9
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -206.487018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.487018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.487018 (E_RNA)
where:
Base-Base interactions energy: -92.958
where: short stacking energy: -60.145
Base-Backbone interact. energy: -1.242
local terms energy: -112.287215
where:
bonds (distance) C4'-P energy: -42.886
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: 6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -761.186846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.186846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.186846 (E_RNA)
where:
Base-Base interactions energy: -532.446
where: short stacking energy: -228.332
Base-Backbone interact. energy: -0.590
local terms energy: -228.150679
where:
bonds (distance) C4'-P energy: -46.343
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -42.009
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -69.242
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: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -730.583880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.583880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.583880 (E_RNA)
where:
Base-Base interactions energy: -511.144
where: short stacking energy: -219.154
Base-Backbone interact. energy: 0.014
local terms energy: -219.454692
where:
bonds (distance) C4'-P energy: -38.836
bonds (distance) P-C4' energy: -43.808
flat angles C4'-P-C4' energy: -48.713
flat angles P-C4'-P energy: -24.268
tors. eta vs tors. theta energy: -63.830
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: 3, replica: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -710.283734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.283734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.283734 (E_RNA)
where:
Base-Base interactions energy: -475.081
where: short stacking energy: -216.379
Base-Backbone interact. energy: -0.157
local terms energy: -235.046204
where:
bonds (distance) C4'-P energy: -46.366
bonds (distance) P-C4' energy: -43.155
flat angles C4'-P-C4' energy: -49.590
flat angles P-C4'-P energy: -28.364
tors. eta vs tors. theta energy: -67.572
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: 4
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -707.961126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.961126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.961126 (E_RNA)
where:
Base-Base interactions energy: -477.554
where: short stacking energy: -211.073
Base-Backbone interact. energy: 0.102
local terms energy: -230.508584
where:
bonds (distance) C4'-P energy: -35.520
bonds (distance) P-C4' energy: -49.610
flat angles C4'-P-C4' energy: -47.606
flat angles P-C4'-P energy: -31.929
tors. eta vs tors. theta energy: -65.843
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: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -613.711569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.711569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.711569 (E_RNA)
where:
Base-Base interactions energy: -410.834
where: short stacking energy: -187.461
Base-Backbone interact. energy: 0.714
local terms energy: -203.591491
where:
bonds (distance) C4'-P energy: -38.169
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -48.783
flat angles P-C4'-P energy: -28.355
tors. eta vs tors. theta energy: -50.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -590.313319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.313319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.313319 (E_RNA)
where:
Base-Base interactions energy: -406.449
where: short stacking energy: -171.218
Base-Backbone interact. energy: 1.143
local terms energy: -185.007586
where:
bonds (distance) C4'-P energy: -37.096
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -41.700
flat angles P-C4'-P energy: -31.586
tors. eta vs tors. theta energy: -44.064
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: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -512.910038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.910038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.910038 (E_RNA)
where:
Base-Base interactions energy: -326.583
where: short stacking energy: -158.818
Base-Backbone interact. energy: 2.375
local terms energy: -188.701237
where:
bonds (distance) C4'-P energy: -36.681
bonds (distance) P-C4' energy: -44.505
flat angles C4'-P-C4' energy: -43.726
flat angles P-C4'-P energy: -24.387
tors. eta vs tors. theta energy: -39.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -382.587652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.587652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.587652 (E_RNA)
where:
Base-Base interactions energy: -221.610
where: short stacking energy: -110.602
Base-Backbone interact. energy: 1.627
local terms energy: -162.604783
where:
bonds (distance) C4'-P energy: -31.692
bonds (distance) P-C4' energy: -35.277
flat angles C4'-P-C4' energy: -41.542
flat angles P-C4'-P energy: -26.519
tors. eta vs tors. theta energy: -27.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -397.867300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.867300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.867300 (E_RNA)
where:
Base-Base interactions energy: -250.984
where: short stacking energy: -123.908
Base-Backbone interact. energy: 1.044
local terms energy: -147.927523
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -43.979
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -24.440
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: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -195.718067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.718067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.718067 (E_RNA)
where:
Base-Base interactions energy: -82.608
where: short stacking energy: -42.456
Base-Backbone interact. energy: 1.987
local terms energy: -115.097169
where:
bonds (distance) C4'-P energy: -30.856
bonds (distance) P-C4' energy: -42.824
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -23.392
tors. eta vs tors. theta energy: 9.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -757.244247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.244247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.244247 (E_RNA)
where:
Base-Base interactions energy: -521.705
where: short stacking energy: -214.541
Base-Backbone interact. energy: -2.459
local terms energy: -233.080914
where:
bonds (distance) C4'-P energy: -43.036
bonds (distance) P-C4' energy: -48.043
flat angles C4'-P-C4' energy: -46.053
flat angles P-C4'-P energy: -29.487
tors. eta vs tors. theta energy: -66.462
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: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -714.121338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.121338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.121338 (E_RNA)
where:
Base-Base interactions energy: -488.959
where: short stacking energy: -216.363
Base-Backbone interact. energy: -1.655
local terms energy: -223.507487
where:
bonds (distance) C4'-P energy: -45.425
bonds (distance) P-C4' energy: -39.626
flat angles C4'-P-C4' energy: -49.629
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -63.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -724.138851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.138851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.138851 (E_RNA)
where:
Base-Base interactions energy: -508.915
where: short stacking energy: -214.173
Base-Backbone interact. energy: 1.209
local terms energy: -216.433302
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -40.017
flat angles C4'-P-C4' energy: -48.624
flat angles P-C4'-P energy: -29.716
tors. eta vs tors. theta energy: -64.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -685.625247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.625247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.625247 (E_RNA)
where:
Base-Base interactions energy: -466.984
where: short stacking energy: -201.955
Base-Backbone interact. energy: -0.372
local terms energy: -218.269460
where:
bonds (distance) C4'-P energy: -41.944
bonds (distance) P-C4' energy: -42.117
flat angles C4'-P-C4' energy: -43.106
flat angles P-C4'-P energy: -31.719
tors. eta vs tors. theta energy: -59.383
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: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -627.357941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.357941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.357941 (E_RNA)
where:
Base-Base interactions energy: -429.248
where: short stacking energy: -188.185
Base-Backbone interact. energy: -2.444
local terms energy: -195.665612
where:
bonds (distance) C4'-P energy: -43.067
bonds (distance) P-C4' energy: -31.688
flat angles C4'-P-C4' energy: -41.140
flat angles P-C4'-P energy: -31.437
tors. eta vs tors. theta energy: -48.333
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: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -580.458746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.458746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.458746 (E_RNA)
where:
Base-Base interactions energy: -406.544
where: short stacking energy: -164.481
Base-Backbone interact. energy: -0.241
local terms energy: -173.674274
where:
bonds (distance) C4'-P energy: -28.055
bonds (distance) P-C4' energy: -43.705
flat angles C4'-P-C4' energy: -39.368
flat angles P-C4'-P energy: -24.327
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: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -521.146858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.146858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.146858 (E_RNA)
where:
Base-Base interactions energy: -345.002
where: short stacking energy: -151.450
Base-Backbone interact. energy: -1.123
local terms energy: -175.022181
where:
bonds (distance) C4'-P energy: -40.097
bonds (distance) P-C4' energy: -42.880
flat angles C4'-P-C4' energy: -36.308
flat angles P-C4'-P energy: -22.524
tors. eta vs tors. theta energy: -33.214
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: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -381.093968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.093968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.093968 (E_RNA)
where:
Base-Base interactions energy: -215.913
where: short stacking energy: -118.670
Base-Backbone interact. energy: -0.692
local terms energy: -164.488820
where:
bonds (distance) C4'-P energy: -39.375
bonds (distance) P-C4' energy: -37.959
flat angles C4'-P-C4' energy: -40.921
flat angles P-C4'-P energy: -16.322
tors. eta vs tors. theta energy: -29.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -386.085980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.085980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.085980 (E_RNA)
where:
Base-Base interactions energy: -256.011
where: short stacking energy: -126.864
Base-Backbone interact. energy: 1.576
local terms energy: -131.651543
where:
bonds (distance) C4'-P energy: -31.764
bonds (distance) P-C4' energy: -21.499
flat angles C4'-P-C4' energy: -38.636
flat angles P-C4'-P energy: -19.598
tors. eta vs tors. theta energy: -20.155
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: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -204.104593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.104593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.104593 (E_RNA)
where:
Base-Base interactions energy: -66.452
where: short stacking energy: -59.168
Base-Backbone interact. energy: 0.328
local terms energy: -137.980549
where:
bonds (distance) C4'-P energy: -32.551
bonds (distance) P-C4' energy: -45.746
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -26.291
tors. eta vs tors. theta energy: -0.807
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: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -758.719240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.719240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.719240 (E_RNA)
where:
Base-Base interactions energy: -529.074
where: short stacking energy: -213.789
Base-Backbone interact. energy: -1.342
local terms energy: -228.304098
where:
bonds (distance) C4'-P energy: -45.055
bonds (distance) P-C4' energy: -36.133
flat angles C4'-P-C4' energy: -48.832
flat angles P-C4'-P energy: -30.272
tors. eta vs tors. theta energy: -68.012
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: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -737.781604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.781604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.781604 (E_RNA)
where:
Base-Base interactions energy: -497.855
where: short stacking energy: -213.292
Base-Backbone interact. energy: -1.155
local terms energy: -238.771695
where:
bonds (distance) C4'-P energy: -49.419
bonds (distance) P-C4' energy: -47.291
flat angles C4'-P-C4' energy: -48.049
flat angles P-C4'-P energy: -32.417
tors. eta vs tors. theta energy: -61.596
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: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -714.059543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.059543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.059543 (E_RNA)
where:
Base-Base interactions energy: -490.899
where: short stacking energy: -204.514
Base-Backbone interact. energy: -1.004
local terms energy: -222.156534
where:
bonds (distance) C4'-P energy: -43.340
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -46.643
flat angles P-C4'-P energy: -24.273
tors. eta vs tors. theta energy: -64.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -660.261255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.261255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.261255 (E_RNA)
where:
Base-Base interactions energy: -460.867
where: short stacking energy: -191.686
Base-Backbone interact. energy: -1.415
local terms energy: -197.979282
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -37.639
flat angles C4'-P-C4' energy: -46.933
flat angles P-C4'-P energy: -24.308
tors. eta vs tors. theta energy: -55.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -643.002007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.002007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.002007 (E_RNA)
where:
Base-Base interactions energy: -443.701
where: short stacking energy: -199.576
Base-Backbone interact. energy: -1.047
local terms energy: -198.253902
where:
bonds (distance) C4'-P energy: -34.725
bonds (distance) P-C4' energy: -40.559
flat angles C4'-P-C4' energy: -42.394
flat angles P-C4'-P energy: -30.690
tors. eta vs tors. theta energy: -49.886
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: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -546.282625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.282625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.282625 (E_RNA)
where:
Base-Base interactions energy: -367.189
where: short stacking energy: -166.035
Base-Backbone interact. energy: 1.040
local terms energy: -180.133255
where:
bonds (distance) C4'-P energy: -36.967
bonds (distance) P-C4' energy: -31.167
flat angles C4'-P-C4' energy: -41.383
flat angles P-C4'-P energy: -23.810
tors. eta vs tors. theta energy: -46.806
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: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -550.563623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.563623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.563623 (E_RNA)
where:
Base-Base interactions energy: -351.398
where: short stacking energy: -160.865
Base-Backbone interact. energy: 2.468
local terms energy: -201.632755
where:
bonds (distance) C4'-P energy: -41.085
bonds (distance) P-C4' energy: -40.165
flat angles C4'-P-C4' energy: -44.774
flat angles P-C4'-P energy: -33.000
tors. eta vs tors. theta energy: -42.609
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: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -359.957716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.957716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.957716 (E_RNA)
where:
Base-Base interactions energy: -218.692
where: short stacking energy: -113.493
Base-Backbone interact. energy: -1.186
local terms energy: -140.079395
where:
bonds (distance) C4'-P energy: -32.100
bonds (distance) P-C4' energy: -40.933
flat angles C4'-P-C4' energy: -33.444
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -399.027439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.027439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.027439 (E_RNA)
where:
Base-Base interactions energy: -226.574
where: short stacking energy: -101.139
Base-Backbone interact. energy: -0.871
local terms energy: -171.582486
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -42.835
flat angles C4'-P-C4' energy: -41.716
flat angles P-C4'-P energy: -24.498
tors. eta vs tors. theta energy: -18.841
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: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -222.527010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.527010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.527010 (E_RNA)
where:
Base-Base interactions energy: -99.913
where: short stacking energy: -67.837
Base-Backbone interact. energy: -0.460
local terms energy: -122.153624
where:
bonds (distance) C4'-P energy: -38.492
bonds (distance) P-C4' energy: -35.332
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -766.055443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.055443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.055443 (E_RNA)
where:
Base-Base interactions energy: -532.306
where: short stacking energy: -204.871
Base-Backbone interact. energy: 0.453
local terms energy: -234.201841
where:
bonds (distance) C4'-P energy: -46.198
bonds (distance) P-C4' energy: -45.016
flat angles C4'-P-C4' energy: -46.769
flat angles P-C4'-P energy: -28.896
tors. eta vs tors. theta energy: -67.323
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: 205
Temperature: 0.950000
Total energy: -724.343269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.343269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.343269 (E_RNA)
where:
Base-Base interactions energy: -487.542
where: short stacking energy: -211.139
Base-Backbone interact. energy: -1.107
local terms energy: -235.694862
where:
bonds (distance) C4'-P energy: -43.333
bonds (distance) P-C4' energy: -46.945
flat angles C4'-P-C4' energy: -45.962
flat angles P-C4'-P energy: -33.205
tors. eta vs tors. theta energy: -66.250
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: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -708.807457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.807457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.807457 (E_RNA)
where:
Base-Base interactions energy: -480.484
where: short stacking energy: -199.593
Base-Backbone interact. energy: -0.413
local terms energy: -227.910699
where:
bonds (distance) C4'-P energy: -44.687
bonds (distance) P-C4' energy: -45.297
flat angles C4'-P-C4' energy: -40.245
flat angles P-C4'-P energy: -38.152
tors. eta vs tors. theta energy: -59.530
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: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -704.967617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.967617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.967617 (E_RNA)
where:
Base-Base interactions energy: -483.914
where: short stacking energy: -207.220
Base-Backbone interact. energy: -0.452
local terms energy: -220.601877
where:
bonds (distance) C4'-P energy: -46.285
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -47.684
flat angles P-C4'-P energy: -29.773
tors. eta vs tors. theta energy: -59.135
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: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -597.720849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.720849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.720849 (E_RNA)
where:
Base-Base interactions energy: -392.924
where: short stacking energy: -185.785
Base-Backbone interact. energy: 1.354
local terms energy: -206.150882
where:
bonds (distance) C4'-P energy: -40.110
bonds (distance) P-C4' energy: -44.303
flat angles C4'-P-C4' energy: -50.432
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -52.302
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: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -559.006589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.006589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.006589 (E_RNA)
where:
Base-Base interactions energy: -373.595
where: short stacking energy: -170.133
Base-Backbone interact. energy: 3.078
local terms energy: -188.489599
where:
bonds (distance) C4'-P energy: -34.622
bonds (distance) P-C4' energy: -41.147
flat angles C4'-P-C4' energy: -45.339
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -39.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -551.789209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.789209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.789209 (E_RNA)
where:
Base-Base interactions energy: -356.146
where: short stacking energy: -171.066
Base-Backbone interact. energy: -1.947
local terms energy: -193.696484
where:
bonds (distance) C4'-P energy: -31.360
bonds (distance) P-C4' energy: -46.045
flat angles C4'-P-C4' energy: -41.218
flat angles P-C4'-P energy: -29.689
tors. eta vs tors. theta energy: -45.385
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: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -392.477322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.477322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.477322 (E_RNA)
where:
Base-Base interactions energy: -229.254
where: short stacking energy: -117.822
Base-Backbone interact. energy: 0.056
local terms energy: -163.279732
where:
bonds (distance) C4'-P energy: -40.517
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -44.074
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -21.209
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: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -353.884746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.884746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.884746 (E_RNA)
where:
Base-Base interactions energy: -213.291
where: short stacking energy: -104.324
Base-Backbone interact. energy: -0.395
local terms energy: -140.198874
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -37.509
flat angles C4'-P-C4' energy: -27.249
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: -10.028
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: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -201.530781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.530781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.530781 (E_RNA)
where:
Base-Base interactions energy: -69.872
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.199
local terms energy: -131.459372
where:
bonds (distance) C4'-P energy: -31.229
bonds (distance) P-C4' energy: -33.486
flat angles C4'-P-C4' energy: -39.512
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -771.627220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.627220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.627220 (E_RNA)
where:
Base-Base interactions energy: -547.426
where: short stacking energy: -223.660
Base-Backbone interact. energy: -2.418
local terms energy: -221.783366
where:
bonds (distance) C4'-P energy: -35.247
bonds (distance) P-C4' energy: -38.789
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -69.489
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: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -734.851605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.851605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.851605 (E_RNA)
where:
Base-Base interactions energy: -498.120
where: short stacking energy: -225.487
Base-Backbone interact. energy: -0.836
local terms energy: -235.894804
where:
bonds (distance) C4'-P energy: -40.726
bonds (distance) P-C4' energy: -46.970
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -33.156
tors. eta vs tors. theta energy: -64.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -701.789587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.789587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.789587 (E_RNA)
where:
Base-Base interactions energy: -471.343
where: short stacking energy: -210.754
Base-Backbone interact. energy: -1.118
local terms energy: -229.328876
where:
bonds (distance) C4'-P energy: -38.994
bonds (distance) P-C4' energy: -44.192
flat angles C4'-P-C4' energy: -52.909
flat angles P-C4'-P energy: -39.853
tors. eta vs tors. theta energy: -53.380
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: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -706.920079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.920079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.920079 (E_RNA)
where:
Base-Base interactions energy: -491.181
where: short stacking energy: -215.341
Base-Backbone interact. energy: -1.225
local terms energy: -214.514179
where:
bonds (distance) C4'-P energy: -38.818
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -42.835
flat angles P-C4'-P energy: -26.704
tors. eta vs tors. theta energy: -64.166
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: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -617.862399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.862399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.862399 (E_RNA)
where:
Base-Base interactions energy: -417.409
where: short stacking energy: -186.409
Base-Backbone interact. energy: -1.160
local terms energy: -199.293603
where:
bonds (distance) C4'-P energy: -39.898
bonds (distance) P-C4' energy: -42.976
flat angles C4'-P-C4' energy: -39.188
flat angles P-C4'-P energy: -28.528
tors. eta vs tors. theta energy: -48.704
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: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -535.258697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.258697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.258697 (E_RNA)
where:
Base-Base interactions energy: -357.324
where: short stacking energy: -149.373
Base-Backbone interact. energy: 3.017
local terms energy: -180.951487
where:
bonds (distance) C4'-P energy: -44.042
bonds (distance) P-C4' energy: -42.829
flat angles C4'-P-C4' energy: -39.422
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -34.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -537.845537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.845537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.845537 (E_RNA)
where:
Base-Base interactions energy: -382.220
where: short stacking energy: -156.370
Base-Backbone interact. energy: -1.029
local terms energy: -154.596258
where:
bonds (distance) C4'-P energy: -32.927
bonds (distance) P-C4' energy: -33.403
flat angles C4'-P-C4' energy: -37.237
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -30.940
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: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -416.514880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.514880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.514880 (E_RNA)
where:
Base-Base interactions energy: -249.398
where: short stacking energy: -120.133
Base-Backbone interact. energy: -0.695
local terms energy: -166.421260
where:
bonds (distance) C4'-P energy: -38.558
bonds (distance) P-C4' energy: -43.935
flat angles C4'-P-C4' energy: -43.651
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -23.456
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: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -360.659201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.659201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.659201 (E_RNA)
where:
Base-Base interactions energy: -188.242
where: short stacking energy: -88.826
Base-Backbone interact. energy: -1.046
local terms energy: -171.371198
where:
bonds (distance) C4'-P energy: -37.556
bonds (distance) P-C4' energy: -37.787
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -28.303
tors. eta vs tors. theta energy: -22.994
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: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -194.901861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.901861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.901861 (E_RNA)
where:
Base-Base interactions energy: -64.830
where: short stacking energy: -54.203
Base-Backbone interact. energy: 1.996
local terms energy: -132.068006
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -37.705
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -25.841
tors. eta vs tors. theta energy: -1.078
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: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -768.987421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.987421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.987421 (E_RNA)
where:
Base-Base interactions energy: -529.896
where: short stacking energy: -221.020
Base-Backbone interact. energy: -0.377
local terms energy: -238.714488
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -48.634
flat angles C4'-P-C4' energy: -47.902
flat angles P-C4'-P energy: -32.437
tors. eta vs tors. theta energy: -70.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -728.946004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.946004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.946004 (E_RNA)
where:
Base-Base interactions energy: -493.724
where: short stacking energy: -216.047
Base-Backbone interact. energy: -0.146
local terms energy: -235.075800
where:
bonds (distance) C4'-P energy: -40.077
bonds (distance) P-C4' energy: -47.177
flat angles C4'-P-C4' energy: -47.267
flat angles P-C4'-P energy: -36.894
tors. eta vs tors. theta energy: -63.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -717.460689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.460689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.460689 (E_RNA)
where:
Base-Base interactions energy: -490.751
where: short stacking energy: -221.821
Base-Backbone interact. energy: -1.083
local terms energy: -225.626526
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -45.737
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -62.303
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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -697.989291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.989291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.989291 (E_RNA)
where:
Base-Base interactions energy: -478.260
where: short stacking energy: -199.980
Base-Backbone interact. energy: 1.361
local terms energy: -221.090525
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -43.137
flat angles P-C4'-P energy: -35.460
tors. eta vs tors. theta energy: -52.535
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: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -613.409194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.409194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.409194 (E_RNA)
where:
Base-Base interactions energy: -415.904
where: short stacking energy: -184.528
Base-Backbone interact. energy: -0.338
local terms energy: -197.167762
where:
bonds (distance) C4'-P energy: -40.740
bonds (distance) P-C4' energy: -37.333
flat angles C4'-P-C4' energy: -45.472
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -46.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -544.259341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.259341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.259341 (E_RNA)
where:
Base-Base interactions energy: -360.583
where: short stacking energy: -175.790
Base-Backbone interact. energy: -1.227
local terms energy: -182.449142
where:
bonds (distance) C4'-P energy: -36.954
bonds (distance) P-C4' energy: -33.446
flat angles C4'-P-C4' energy: -37.016
flat angles P-C4'-P energy: -35.692
tors. eta vs tors. theta energy: -39.340
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: 7, replica: 3
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -577.366221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.366221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.366221 (E_RNA)
where:
Base-Base interactions energy: -390.276
where: short stacking energy: -184.402
Base-Backbone interact. energy: -0.781
local terms energy: -186.309248
where:
bonds (distance) C4'-P energy: -38.047
bonds (distance) P-C4' energy: -38.261
flat angles C4'-P-C4' energy: -37.981
flat angles P-C4'-P energy: -26.081
tors. eta vs tors. theta energy: -45.940
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: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -419.911857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.911857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.911857 (E_RNA)
where:
Base-Base interactions energy: -257.353
where: short stacking energy: -120.118
Base-Backbone interact. energy: 1.246
local terms energy: -163.805233
where:
bonds (distance) C4'-P energy: -34.051
bonds (distance) P-C4' energy: -45.270
flat angles C4'-P-C4' energy: -33.449
flat angles P-C4'-P energy: -28.386
tors. eta vs tors. theta energy: -22.651
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: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -348.685620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.685620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.685620 (E_RNA)
where:
Base-Base interactions energy: -191.374
where: short stacking energy: -104.753
Base-Backbone interact. energy: -0.051
local terms energy: -157.261342
where:
bonds (distance) C4'-P energy: -37.828
bonds (distance) P-C4' energy: -36.968
flat angles C4'-P-C4' energy: -34.963
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -24.679
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: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -200.578607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.578607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.578607 (E_RNA)
where:
Base-Base interactions energy: -80.783
where: short stacking energy: -76.407
Base-Backbone interact. energy: -0.475
local terms energy: -119.321039
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -36.074
flat angles C4'-P-C4' energy: -28.328
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -2.297
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: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -770.104234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.104234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.104234 (E_RNA)
where:
Base-Base interactions energy: -533.623
where: short stacking energy: -230.122
Base-Backbone interact. energy: -1.495
local terms energy: -234.986060
where:
bonds (distance) C4'-P energy: -47.017
bonds (distance) P-C4' energy: -43.372
flat angles C4'-P-C4' energy: -45.808
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -69.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -718.514459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.514459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.514459 (E_RNA)
where:
Base-Base interactions energy: -481.830
where: short stacking energy: -223.577
Base-Backbone interact. energy: -1.055
local terms energy: -235.628823
where:
bonds (distance) C4'-P energy: -48.161
bonds (distance) P-C4' energy: -44.738
flat angles C4'-P-C4' energy: -48.951
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: -64.754
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: 3, replica: 5
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -727.326966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.326966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.326966 (E_RNA)
where:
Base-Base interactions energy: -500.565
where: short stacking energy: -213.589
Base-Backbone interact. energy: -0.822
local terms energy: -225.940324
where:
bonds (distance) C4'-P energy: -38.913
bonds (distance) P-C4' energy: -37.619
flat angles C4'-P-C4' energy: -49.310
flat angles P-C4'-P energy: -29.475
tors. eta vs tors. theta energy: -70.623
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: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -695.852889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.852889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.852889 (E_RNA)
where:
Base-Base interactions energy: -479.718
where: short stacking energy: -218.724
Base-Backbone interact. energy: -1.322
local terms energy: -214.812856
where:
bonds (distance) C4'-P energy: -42.871
bonds (distance) P-C4' energy: -35.982
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -65.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -605.493767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.493767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.493767 (E_RNA)
where:
Base-Base interactions energy: -423.316
where: short stacking energy: -179.742
Base-Backbone interact. energy: -1.656
local terms energy: -180.522229
where:
bonds (distance) C4'-P energy: -37.326
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -46.926
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -43.965
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: 6, replica: 7
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -534.909643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.909643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.909643 (E_RNA)
where:
Base-Base interactions energy: -346.425
where: short stacking energy: -176.819
Base-Backbone interact. energy: -0.339
local terms energy: -188.145559
where:
bonds (distance) C4'-P energy: -45.500
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -47.444
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -42.940
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: 208
Temperature: 1.200000
Total energy: -527.025670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.025670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.025670 (E_RNA)
where:
Base-Base interactions energy: -346.521
where: short stacking energy: -147.526
Base-Backbone interact. energy: -1.019
local terms energy: -179.486499
where:
bonds (distance) C4'-P energy: -40.164
bonds (distance) P-C4' energy: -35.845
flat angles C4'-P-C4' energy: -39.767
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -35.274
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: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -432.967177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.967177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.967177 (E_RNA)
where:
Base-Base interactions energy: -267.995
where: short stacking energy: -117.607
Base-Backbone interact. energy: 0.439
local terms energy: -165.410961
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -41.273
flat angles C4'-P-C4' energy: -34.342
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -27.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -339.387534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.387534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.387534 (E_RNA)
where:
Base-Base interactions energy: -205.237
where: short stacking energy: -94.784
Base-Backbone interact. energy: -0.641
local terms energy: -133.509769
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -30.959
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -29.538
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: 10, replica: 9
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -229.266401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.266401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.266401 (E_RNA)
where:
Base-Base interactions energy: -109.492
where: short stacking energy: -75.123
Base-Backbone interact. energy: 0.449
local terms energy: -120.223438
where:
bonds (distance) C4'-P energy: -38.650
bonds (distance) P-C4' energy: -40.844
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -2.333
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: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -748.315460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.315460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.315460 (E_RNA)
where:
Base-Base interactions energy: -510.959
where: short stacking energy: -215.413
Base-Backbone interact. energy: -0.733
local terms energy: -236.623841
where:
bonds (distance) C4'-P energy: -44.723
bonds (distance) P-C4' energy: -43.185
flat angles C4'-P-C4' energy: -50.977
flat angles P-C4'-P energy: -33.042
tors. eta vs tors. theta energy: -64.697
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: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -718.452923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.452923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.452923 (E_RNA)
where:
Base-Base interactions energy: -495.722
where: short stacking energy: -217.919
Base-Backbone interact. energy: -1.627
local terms energy: -221.103827
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -41.745
flat angles C4'-P-C4' energy: -51.149
flat angles P-C4'-P energy: -33.024
tors. eta vs tors. theta energy: -57.108
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: 5
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -723.137542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.137542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.137542 (E_RNA)
where:
Base-Base interactions energy: -493.554
where: short stacking energy: -214.914
Base-Backbone interact. energy: -0.377
local terms energy: -229.206593
where:
bonds (distance) C4'-P energy: -42.050
bonds (distance) P-C4' energy: -47.488
flat angles C4'-P-C4' energy: -49.475
flat angles P-C4'-P energy: -31.722
tors. eta vs tors. theta energy: -58.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -695.947599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.947599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.947599 (E_RNA)
where:
Base-Base interactions energy: -479.629
where: short stacking energy: -214.088
Base-Backbone interact. energy: -1.609
local terms energy: -214.709389
where:
bonds (distance) C4'-P energy: -37.515
bonds (distance) P-C4' energy: -35.948
flat angles C4'-P-C4' energy: -54.945
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -59.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -610.085858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.085858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.085858 (E_RNA)
where:
Base-Base interactions energy: -422.350
where: short stacking energy: -175.178
Base-Backbone interact. energy: 1.461
local terms energy: -189.196832
where:
bonds (distance) C4'-P energy: -31.440
bonds (distance) P-C4' energy: -42.503
flat angles C4'-P-C4' energy: -43.977
flat angles P-C4'-P energy: -29.821
tors. eta vs tors. theta energy: -41.456
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: 209
Temperature: 1.150000
Total energy: -541.652043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.652043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.652043 (E_RNA)
where:
Base-Base interactions energy: -360.635
where: short stacking energy: -165.480
Base-Backbone interact. energy: -1.837
local terms energy: -179.179709
where:
bonds (distance) C4'-P energy: -42.978
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -44.095
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -37.004
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: 7, replica: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -546.054903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.054903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.054903 (E_RNA)
where:
Base-Base interactions energy: -375.810
where: short stacking energy: -163.030
Base-Backbone interact. energy: 1.208
local terms energy: -171.452574
where:
bonds (distance) C4'-P energy: -31.324
bonds (distance) P-C4' energy: -37.995
flat angles C4'-P-C4' energy: -32.334
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -40.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -379.201749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.201749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.201749 (E_RNA)
where:
Base-Base interactions energy: -214.275
where: short stacking energy: -113.837
Base-Backbone interact. energy: 0.522
local terms energy: -165.448184
where:
bonds (distance) C4'-P energy: -35.911
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -36.539
flat angles P-C4'-P energy: -26.910
tors. eta vs tors. theta energy: -29.257
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: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -343.859228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.859228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.859228 (E_RNA)
where:
Base-Base interactions energy: -192.691
where: short stacking energy: -98.323
Base-Backbone interact. energy: 2.371
local terms energy: -153.538920
where:
bonds (distance) C4'-P energy: -30.781
bonds (distance) P-C4' energy: -43.018
flat angles C4'-P-C4' energy: -37.057
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: -15.195
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: 9
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -235.807949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.807949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.807949 (E_RNA)
where:
Base-Base interactions energy: -116.895
where: short stacking energy: -82.831
Base-Backbone interact. energy: 1.371
local terms energy: -120.283478
where:
bonds (distance) C4'-P energy: -31.382
bonds (distance) P-C4' energy: -31.938
flat angles C4'-P-C4' energy: -37.340
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -7.587
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: 1, replica: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -765.337147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.337147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.337147 (E_RNA)
where:
Base-Base interactions energy: -520.859
where: short stacking energy: -227.213
Base-Backbone interact. energy: -2.293
local terms energy: -242.185179
where:
bonds (distance) C4'-P energy: -42.093
bonds (distance) P-C4' energy: -47.423
flat angles C4'-P-C4' energy: -44.159
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -68.719
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: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -725.747618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.747618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.747618 (E_RNA)
where:
Base-Base interactions energy: -492.860
where: short stacking energy: -222.034
Base-Backbone interact. energy: -0.940
local terms energy: -231.947326
where:
bonds (distance) C4'-P energy: -43.322
bonds (distance) P-C4' energy: -44.433
flat angles C4'-P-C4' energy: -48.770
flat angles P-C4'-P energy: -34.494
tors. eta vs tors. theta energy: -60.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -722.166753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.166753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.166753 (E_RNA)
where:
Base-Base interactions energy: -491.251
where: short stacking energy: -213.434
Base-Backbone interact. energy: -1.161
local terms energy: -229.755345
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -45.180
flat angles P-C4'-P energy: -33.782
tors. eta vs tors. theta energy: -66.202
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: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -695.787839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.787839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.787839 (E_RNA)
where:
Base-Base interactions energy: -486.007
where: short stacking energy: -210.797
Base-Backbone interact. energy: -0.084
local terms energy: -209.696022
where:
bonds (distance) C4'-P energy: -36.510
bonds (distance) P-C4' energy: -41.265
flat angles C4'-P-C4' energy: -46.744
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: -58.820
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: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -575.564381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.564381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.564381 (E_RNA)
where:
Base-Base interactions energy: -367.712
where: short stacking energy: -181.952
Base-Backbone interact. energy: -0.810
local terms energy: -207.042139
where:
bonds (distance) C4'-P energy: -42.058
bonds (distance) P-C4' energy: -41.510
flat angles C4'-P-C4' energy: -42.879
flat angles P-C4'-P energy: -26.943
tors. eta vs tors. theta energy: -53.653
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: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -581.294102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.294102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.294102 (E_RNA)
where:
Base-Base interactions energy: -396.825
where: short stacking energy: -172.838
Base-Backbone interact. energy: 3.033
local terms energy: -187.502189
where:
bonds (distance) C4'-P energy: -38.839
bonds (distance) P-C4' energy: -36.760
flat angles C4'-P-C4' energy: -35.611
flat angles P-C4'-P energy: -35.613
tors. eta vs tors. theta energy: -40.679
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: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -597.183612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.183612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.183612 (E_RNA)
where:
Base-Base interactions energy: -405.290
where: short stacking energy: -174.898
Base-Backbone interact. energy: -1.096
local terms energy: -190.797971
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -40.264
flat angles C4'-P-C4' energy: -40.387
flat angles P-C4'-P energy: -29.123
tors. eta vs tors. theta energy: -45.380
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: 8, replica: 10
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -394.747348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.747348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.747348 (E_RNA)
where:
Base-Base interactions energy: -252.525
where: short stacking energy: -122.811
Base-Backbone interact. energy: -0.989
local terms energy: -141.233781
where:
bonds (distance) C4'-P energy: -30.033
bonds (distance) P-C4' energy: -31.503
flat angles C4'-P-C4' energy: -33.622
flat angles P-C4'-P energy: -24.167
tors. eta vs tors. theta energy: -21.909
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: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -367.238542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.238542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.238542 (E_RNA)
where:
Base-Base interactions energy: -199.516
where: short stacking energy: -120.381
Base-Backbone interact. energy: -1.033
local terms energy: -166.689047
where:
bonds (distance) C4'-P energy: -37.527
bonds (distance) P-C4' energy: -41.520
flat angles C4'-P-C4' energy: -37.217
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -22.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -183.321951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.321951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.321951 (E_RNA)
where:
Base-Base interactions energy: -69.911
where: short stacking energy: -68.123
Base-Backbone interact. energy: 1.008
local terms energy: -114.418788
where:
bonds (distance) C4'-P energy: -27.958
bonds (distance) P-C4' energy: -38.961
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -2.876
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: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -754.817269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.817269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.817269 (E_RNA)
where:
Base-Base interactions energy: -521.727
where: short stacking energy: -235.636
Base-Backbone interact. energy: -1.058
local terms energy: -232.032237
where:
bonds (distance) C4'-P energy: -46.546
bonds (distance) P-C4' energy: -42.385
flat angles C4'-P-C4' energy: -46.430
flat angles P-C4'-P energy: -30.511
tors. eta vs tors. theta energy: -66.161
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: 2, replica: 5
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -733.450092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.450092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.450092 (E_RNA)
where:
Base-Base interactions energy: -494.276
where: short stacking energy: -229.068
Base-Backbone interact. energy: -1.425
local terms energy: -237.748711
where:
bonds (distance) C4'-P energy: -41.505
bonds (distance) P-C4' energy: -43.207
flat angles C4'-P-C4' energy: -45.285
flat angles P-C4'-P energy: -36.477
tors. eta vs tors. theta energy: -71.276
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: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -701.406196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.406196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.406196 (E_RNA)
where:
Base-Base interactions energy: -471.718
where: short stacking energy: -219.193
Base-Backbone interact. energy: -1.446
local terms energy: -228.241991
where:
bonds (distance) C4'-P energy: -36.201
bonds (distance) P-C4' energy: -44.310
flat angles C4'-P-C4' energy: -45.936
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: -65.625
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: 4, replica: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -705.346862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.346862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.346862 (E_RNA)
where:
Base-Base interactions energy: -494.395
where: short stacking energy: -213.169
Base-Backbone interact. energy: -1.163
local terms energy: -209.788803
where:
bonds (distance) C4'-P energy: -39.463
bonds (distance) P-C4' energy: -37.046
flat angles C4'-P-C4' energy: -47.148
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -62.784
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: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -557.850736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.850736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.850736 (E_RNA)
where:
Base-Base interactions energy: -376.658
where: short stacking energy: -167.172
Base-Backbone interact. energy: 2.004
local terms energy: -183.196785
where:
bonds (distance) C4'-P energy: -38.096
bonds (distance) P-C4' energy: -41.863
flat angles C4'-P-C4' energy: -34.704
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -38.769
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: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -603.489244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.489244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.489244 (E_RNA)
where:
Base-Base interactions energy: -402.471
where: short stacking energy: -184.785
Base-Backbone interact. energy: -0.902
local terms energy: -200.116618
where:
bonds (distance) C4'-P energy: -37.327
bonds (distance) P-C4' energy: -34.542
flat angles C4'-P-C4' energy: -44.125
flat angles P-C4'-P energy: -24.812
tors. eta vs tors. theta energy: -59.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -534.809516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.809516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.809516 (E_RNA)
where:
Base-Base interactions energy: -357.685
where: short stacking energy: -148.516
Base-Backbone interact. energy: -0.067
local terms energy: -177.057673
where:
bonds (distance) C4'-P energy: -30.055
bonds (distance) P-C4' energy: -41.816
flat angles C4'-P-C4' energy: -36.150
flat angles P-C4'-P energy: -32.137
tors. eta vs tors. theta energy: -36.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -393.065170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.065170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.065170 (E_RNA)
where:
Base-Base interactions energy: -240.149
where: short stacking energy: -117.003
Base-Backbone interact. energy: -0.454
local terms energy: -152.462770
where:
bonds (distance) C4'-P energy: -35.146
bonds (distance) P-C4' energy: -45.822
flat angles C4'-P-C4' energy: -29.847
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -21.257
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: 9, replica: 10
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -378.715233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.715233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.715233 (E_RNA)
where:
Base-Base interactions energy: -220.896
where: short stacking energy: -100.155
Base-Backbone interact. energy: -0.768
local terms energy: -157.051685
where:
bonds (distance) C4'-P energy: -37.819
bonds (distance) P-C4' energy: -43.204
flat angles C4'-P-C4' energy: -35.841
flat angles P-C4'-P energy: -22.784
tors. eta vs tors. theta energy: -17.403
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: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -187.597819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.597819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.597819 (E_RNA)
where:
Base-Base interactions energy: -76.371
where: short stacking energy: -61.953
Base-Backbone interact. energy: -1.021
local terms energy: -110.206423
where:
bonds (distance) C4'-P energy: -27.572
bonds (distance) P-C4' energy: -23.919
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -6.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -743.003336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.003336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.003336 (E_RNA)
where:
Base-Base interactions energy: -508.597
where: short stacking energy: -234.824
Base-Backbone interact. energy: -0.670
local terms energy: -233.736668
where:
bonds (distance) C4'-P energy: -38.150
bonds (distance) P-C4' energy: -43.109
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -67.053
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: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -741.547955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.547955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.547955 (E_RNA)
where:
Base-Base interactions energy: -507.271
where: short stacking energy: -222.791
Base-Backbone interact. energy: -0.711
local terms energy: -233.565013
where:
bonds (distance) C4'-P energy: -40.967
bonds (distance) P-C4' energy: -43.560
flat angles C4'-P-C4' energy: -51.172
flat angles P-C4'-P energy: -32.465
tors. eta vs tors. theta energy: -65.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -694.196077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.196077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.196077 (E_RNA)
where:
Base-Base interactions energy: -473.892
where: short stacking energy: -198.697
Base-Backbone interact. energy: -1.163
local terms energy: -219.141052
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -42.121
flat angles C4'-P-C4' energy: -42.393
flat angles P-C4'-P energy: -35.759
tors. eta vs tors. theta energy: -52.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -700.852313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.852313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.852313 (E_RNA)
where:
Base-Base interactions energy: -478.184
where: short stacking energy: -209.725
Base-Backbone interact. energy: -2.094
local terms energy: -220.574910
where:
bonds (distance) C4'-P energy: -36.234
bonds (distance) P-C4' energy: -37.711
flat angles C4'-P-C4' energy: -48.421
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -68.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -669.584936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.584936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.584936 (E_RNA)
where:
Base-Base interactions energy: -447.068
where: short stacking energy: -203.874
Base-Backbone interact. energy: -0.128
local terms energy: -222.388691
where:
bonds (distance) C4'-P energy: -41.031
bonds (distance) P-C4' energy: -40.049
flat angles C4'-P-C4' energy: -49.264
flat angles P-C4'-P energy: -34.511
tors. eta vs tors. theta energy: -57.533
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: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -594.987003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.987003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.987003 (E_RNA)
where:
Base-Base interactions energy: -404.731
where: short stacking energy: -184.492
Base-Backbone interact. energy: -0.868
local terms energy: -189.387806
where:
bonds (distance) C4'-P energy: -33.075
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -46.938
flat angles P-C4'-P energy: -30.245
tors. eta vs tors. theta energy: -48.742
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: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -551.128089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.128089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.128089 (E_RNA)
where:
Base-Base interactions energy: -391.748
where: short stacking energy: -165.011
Base-Backbone interact. energy: -1.931
local terms energy: -157.448820
where:
bonds (distance) C4'-P energy: -29.949
bonds (distance) P-C4' energy: -34.045
flat angles C4'-P-C4' energy: -32.124
flat angles P-C4'-P energy: -27.424
tors. eta vs tors. theta energy: -33.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -367.174397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.174397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.174397 (E_RNA)
where:
Base-Base interactions energy: -225.447
where: short stacking energy: -120.290
Base-Backbone interact. energy: 6.304
local terms energy: -148.031237
where:
bonds (distance) C4'-P energy: -34.446
bonds (distance) P-C4' energy: -35.181
flat angles C4'-P-C4' energy: -29.376
flat angles P-C4'-P energy: -29.347
tors. eta vs tors. theta energy: -19.681
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: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -389.631976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.631976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.631976 (E_RNA)
where:
Base-Base interactions energy: -247.107
where: short stacking energy: -132.966
Base-Backbone interact. energy: 0.321
local terms energy: -142.846695
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -31.916
flat angles C4'-P-C4' energy: -31.202
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -20.546
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: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -210.356052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.356052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.356052 (E_RNA)
where:
Base-Base interactions energy: -88.838
where: short stacking energy: -69.384
Base-Backbone interact. energy: 1.862
local terms energy: -123.380002
where:
bonds (distance) C4'-P energy: -33.343
bonds (distance) P-C4' energy: -31.144
flat angles C4'-P-C4' energy: -34.678
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -8.329
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: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -742.871212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.871212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.871212 (E_RNA)
where:
Base-Base interactions energy: -489.298
where: short stacking energy: -220.582
Base-Backbone interact. energy: -1.818
local terms energy: -251.755522
where:
bonds (distance) C4'-P energy: -46.459
bonds (distance) P-C4' energy: -46.968
flat angles C4'-P-C4' energy: -51.116
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -69.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -747.630054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.630054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.630054 (E_RNA)
where:
Base-Base interactions energy: -517.431
where: short stacking energy: -226.586
Base-Backbone interact. energy: -1.220
local terms energy: -228.979227
where:
bonds (distance) C4'-P energy: -44.764
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -45.107
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: -65.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -701.652663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.652663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.652663 (E_RNA)
where:
Base-Base interactions energy: -497.813
where: short stacking energy: -212.436
Base-Backbone interact. energy: 3.290
local terms energy: -207.129616
where:
bonds (distance) C4'-P energy: -40.953
bonds (distance) P-C4' energy: -36.522
flat angles C4'-P-C4' energy: -45.469
flat angles P-C4'-P energy: -33.664
tors. eta vs tors. theta energy: -50.521
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: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -702.659305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.659305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.659305 (E_RNA)
where:
Base-Base interactions energy: -479.536
where: short stacking energy: -214.021
Base-Backbone interact. energy: -0.133
local terms energy: -222.990271
where:
bonds (distance) C4'-P energy: -37.077
bonds (distance) P-C4' energy: -42.293
flat angles C4'-P-C4' energy: -42.931
flat angles P-C4'-P energy: -38.403
tors. eta vs tors. theta energy: -62.286
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: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -635.057853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.057853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.057853 (E_RNA)
where:
Base-Base interactions energy: -426.004
where: short stacking energy: -172.327
Base-Backbone interact. energy: -0.909
local terms energy: -208.144391
where:
bonds (distance) C4'-P energy: -45.396
bonds (distance) P-C4' energy: -43.960
flat angles C4'-P-C4' energy: -38.078
flat angles P-C4'-P energy: -29.790
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: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -557.947622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.947622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.947622 (E_RNA)
where:
Base-Base interactions energy: -360.488
where: short stacking energy: -183.478
Base-Backbone interact. energy: -1.282
local terms energy: -196.177960
where:
bonds (distance) C4'-P energy: -37.659
bonds (distance) P-C4' energy: -34.553
flat angles C4'-P-C4' energy: -45.821
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -53.961
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: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -558.989739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.989739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.989739 (E_RNA)
where:
Base-Base interactions energy: -380.869
where: short stacking energy: -170.674
Base-Backbone interact. energy: -1.077
local terms energy: -177.043603
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -34.903
flat angles C4'-P-C4' energy: -39.595
flat angles P-C4'-P energy: -27.294
tors. eta vs tors. theta energy: -37.452
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: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -400.941864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.941864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.941864 (E_RNA)
where:
Base-Base interactions energy: -241.440
where: short stacking energy: -106.299
Base-Backbone interact. energy: -0.977
local terms energy: -158.524655
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -44.314
flat angles C4'-P-C4' energy: -37.872
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -18.356
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: 8
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -403.895097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.895097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.895097 (E_RNA)
where:
Base-Base interactions energy: -247.842
where: short stacking energy: -119.497
Base-Backbone interact. energy: 0.276
local terms energy: -156.328219
where:
bonds (distance) C4'-P energy: -34.722
bonds (distance) P-C4' energy: -40.079
flat angles C4'-P-C4' energy: -27.404
flat angles P-C4'-P energy: -22.788
tors. eta vs tors. theta energy: -31.335
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: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -193.390877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.390877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.390877 (E_RNA)
where:
Base-Base interactions energy: -63.772
where: short stacking energy: -56.034
Base-Backbone interact. energy: -0.510
local terms energy: -129.108874
where:
bonds (distance) C4'-P energy: -38.303
bonds (distance) P-C4' energy: -35.567
flat angles C4'-P-C4' energy: -32.386
flat angles P-C4'-P energy: -26.543
tors. eta vs tors. theta energy: 3.690
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: 6
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -757.641998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.641998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.641998 (E_RNA)
where:
Base-Base interactions energy: -518.154
where: short stacking energy: -222.796
Base-Backbone interact. energy: -1.338
local terms energy: -238.149564
where:
bonds (distance) C4'-P energy: -47.655
bonds (distance) P-C4' energy: -44.512
flat angles C4'-P-C4' energy: -48.527
flat angles P-C4'-P energy: -28.967
tors. eta vs tors. theta energy: -68.489
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: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -737.476397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.476397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.476397 (E_RNA)
where:
Base-Base interactions energy: -503.031
where: short stacking energy: -234.738
Base-Backbone interact. energy: -1.081
local terms energy: -233.364520
where:
bonds (distance) C4'-P energy: -44.104
bonds (distance) P-C4' energy: -42.398
flat angles C4'-P-C4' energy: -46.897
flat angles P-C4'-P energy: -30.924
tors. eta vs tors. theta energy: -69.041
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: 2
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -706.870353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.870353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.870353 (E_RNA)
where:
Base-Base interactions energy: -474.418
where: short stacking energy: -205.280
Base-Backbone interact. energy: -0.437
local terms energy: -232.015571
where:
bonds (distance) C4'-P energy: -42.683
bonds (distance) P-C4' energy: -41.057
flat angles C4'-P-C4' energy: -47.259
flat angles P-C4'-P energy: -37.683
tors. eta vs tors. theta energy: -63.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -679.691882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.691882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.691882 (E_RNA)
where:
Base-Base interactions energy: -479.966
where: short stacking energy: -193.913
Base-Backbone interact. energy: -0.317
local terms energy: -199.408188
where:
bonds (distance) C4'-P energy: -41.251
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -45.026
flat angles P-C4'-P energy: -31.240
tors. eta vs tors. theta energy: -45.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -657.778519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.778519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.778519 (E_RNA)
where:
Base-Base interactions energy: -437.114
where: short stacking energy: -193.050
Base-Backbone interact. energy: -1.074
local terms energy: -219.589996
where:
bonds (distance) C4'-P energy: -41.205
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -48.657
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -62.803
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: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -542.055213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.055213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.055213 (E_RNA)
where:
Base-Base interactions energy: -365.355
where: short stacking energy: -173.792
Base-Backbone interact. energy: -0.953
local terms energy: -175.747407
where:
bonds (distance) C4'-P energy: -37.645
bonds (distance) P-C4' energy: -26.334
flat angles C4'-P-C4' energy: -47.727
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: -37.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -564.336167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.336167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.336167 (E_RNA)
where:
Base-Base interactions energy: -384.598
where: short stacking energy: -173.416
Base-Backbone interact. energy: -1.027
local terms energy: -178.710950
where:
bonds (distance) C4'-P energy: -40.837
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -38.434
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -40.487
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: 8, replica: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -375.178799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.178799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.178799 (E_RNA)
where:
Base-Base interactions energy: -212.088
where: short stacking energy: -100.534
Base-Backbone interact. energy: -0.631
local terms energy: -162.459160
where:
bonds (distance) C4'-P energy: -42.764
bonds (distance) P-C4' energy: -46.748
flat angles C4'-P-C4' energy: -30.335
flat angles P-C4'-P energy: -30.327
tors. eta vs tors. theta energy: -12.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -387.932528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.932528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.932528 (E_RNA)
where:
Base-Base interactions energy: -235.264
where: short stacking energy: -107.909
Base-Backbone interact. energy: -2.002
local terms energy: -150.665698
where:
bonds (distance) C4'-P energy: -38.500
bonds (distance) P-C4' energy: -35.540
flat angles C4'-P-C4' energy: -37.325
flat angles P-C4'-P energy: -20.750
tors. eta vs tors. theta energy: -18.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -199.450903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.450903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.450903 (E_RNA)
where:
Base-Base interactions energy: -59.405
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.276
local terms energy: -139.770524
where:
bonds (distance) C4'-P energy: -40.579
bonds (distance) P-C4' energy: -38.994
flat angles C4'-P-C4' energy: -39.901
flat angles P-C4'-P energy: -20.982
tors. eta vs tors. theta energy: 0.686
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: 1, replica: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -765.355177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.355177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.355177 (E_RNA)
where:
Base-Base interactions energy: -535.417
where: short stacking energy: -231.877
Base-Backbone interact. energy: -1.331
local terms energy: -228.607050
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -48.802
flat angles C4'-P-C4' energy: -46.257
flat angles P-C4'-P energy: -31.074
tors. eta vs tors. theta energy: -67.550
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: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -737.196122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.196122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.196122 (E_RNA)
where:
Base-Base interactions energy: -509.237
where: short stacking energy: -225.696
Base-Backbone interact. energy: -0.799
local terms energy: -227.160169
where:
bonds (distance) C4'-P energy: -44.055
bonds (distance) P-C4' energy: -46.481
flat angles C4'-P-C4' energy: -47.106
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -61.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -705.110484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.110484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.110484 (E_RNA)
where:
Base-Base interactions energy: -478.448
where: short stacking energy: -201.460
Base-Backbone interact. energy: 0.504
local terms energy: -227.165567
where:
bonds (distance) C4'-P energy: -46.994
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -44.912
flat angles P-C4'-P energy: -35.141
tors. eta vs tors. theta energy: -60.573
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: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -691.301572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.301572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.301572 (E_RNA)
where:
Base-Base interactions energy: -493.787
where: short stacking energy: -203.991
Base-Backbone interact. energy: 1.357
local terms energy: -198.871955
where:
bonds (distance) C4'-P energy: -37.635
bonds (distance) P-C4' energy: -31.074
flat angles C4'-P-C4' energy: -44.764
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -57.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -636.737434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.737434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.737434 (E_RNA)
where:
Base-Base interactions energy: -425.550
where: short stacking energy: -192.990
Base-Backbone interact. energy: 0.040
local terms energy: -211.227834
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -37.128
flat angles C4'-P-C4' energy: -49.301
flat angles P-C4'-P energy: -36.005
tors. eta vs tors. theta energy: -52.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -549.174257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.174257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.174257 (E_RNA)
where:
Base-Base interactions energy: -346.348
where: short stacking energy: -172.421
Base-Backbone interact. energy: 0.593
local terms energy: -203.418996
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -46.427
flat angles C4'-P-C4' energy: -38.609
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: -52.700
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: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -569.101729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.101729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.101729 (E_RNA)
where:
Base-Base interactions energy: -389.364
where: short stacking energy: -167.685
Base-Backbone interact. energy: -1.009
local terms energy: -178.729263
where:
bonds (distance) C4'-P energy: -27.077
bonds (distance) P-C4' energy: -39.754
flat angles C4'-P-C4' energy: -45.854
flat angles P-C4'-P energy: -30.776
tors. eta vs tors. theta energy: -35.269
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: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -360.857837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.857837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.857837 (E_RNA)
where:
Base-Base interactions energy: -214.827
where: short stacking energy: -112.711
Base-Backbone interact. energy: 1.354
local terms energy: -147.385244
where:
bonds (distance) C4'-P energy: -36.532
bonds (distance) P-C4' energy: -35.857
flat angles C4'-P-C4' energy: -35.385
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -378.463319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.463319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.463319 (E_RNA)
where:
Base-Base interactions energy: -236.799
where: short stacking energy: -119.784
Base-Backbone interact. energy: -0.530
local terms energy: -141.134331
where:
bonds (distance) C4'-P energy: -22.132
bonds (distance) P-C4' energy: -40.730
flat angles C4'-P-C4' energy: -40.874
flat angles P-C4'-P energy: -18.776
tors. eta vs tors. theta energy: -18.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -200.447569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.447569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.447569 (E_RNA)
where:
Base-Base interactions energy: -77.494
where: short stacking energy: -50.399
Base-Backbone interact. energy: -0.531
local terms energy: -122.422710
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -32.599
flat angles C4'-P-C4' energy: -29.729
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: 0.345
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: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -761.084730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.084730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.084730 (E_RNA)
where:
Base-Base interactions energy: -526.520
where: short stacking energy: -231.625
Base-Backbone interact. energy: -0.191
local terms energy: -234.373770
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -44.439
flat angles C4'-P-C4' energy: -54.126
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -66.933
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: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -729.111663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.111663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.111663 (E_RNA)
where:
Base-Base interactions energy: -514.452
where: short stacking energy: -229.091
Base-Backbone interact. energy: -0.189
local terms energy: -214.470262
where:
bonds (distance) C4'-P energy: -35.316
bonds (distance) P-C4' energy: -43.684
flat angles C4'-P-C4' energy: -44.545
flat angles P-C4'-P energy: -27.736
tors. eta vs tors. theta energy: -63.189
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: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -695.337717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.337717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.337717 (E_RNA)
where:
Base-Base interactions energy: -469.183
where: short stacking energy: -209.249
Base-Backbone interact. energy: -1.389
local terms energy: -224.766252
where:
bonds (distance) C4'-P energy: -44.536
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -45.624
flat angles P-C4'-P energy: -33.801
tors. eta vs tors. theta energy: -59.299
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: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -694.249642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.249642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.249642 (E_RNA)
where:
Base-Base interactions energy: -485.010
where: short stacking energy: -208.117
Base-Backbone interact. energy: -0.188
local terms energy: -209.051238
where:
bonds (distance) C4'-P energy: -38.560
bonds (distance) P-C4' energy: -41.240
flat angles C4'-P-C4' energy: -44.097
flat angles P-C4'-P energy: -27.334
tors. eta vs tors. theta energy: -57.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -646.316503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.316503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.316503 (E_RNA)
where:
Base-Base interactions energy: -439.170
where: short stacking energy: -190.982
Base-Backbone interact. energy: -1.560
local terms energy: -205.587325
where:
bonds (distance) C4'-P energy: -38.260
bonds (distance) P-C4' energy: -42.178
flat angles C4'-P-C4' energy: -40.722
flat angles P-C4'-P energy: -29.277
tors. eta vs tors. theta energy: -55.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -534.756770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.756770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.756770 (E_RNA)
where:
Base-Base interactions energy: -356.535
where: short stacking energy: -169.281
Base-Backbone interact. energy: 0.701
local terms energy: -178.922783
where:
bonds (distance) C4'-P energy: -30.876
bonds (distance) P-C4' energy: -39.890
flat angles C4'-P-C4' energy: -37.921
flat angles P-C4'-P energy: -33.178
tors. eta vs tors. theta energy: -37.058
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: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -577.678089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.678089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.678089 (E_RNA)
where:
Base-Base interactions energy: -389.079
where: short stacking energy: -162.790
Base-Backbone interact. energy: -0.870
local terms energy: -187.729397
where:
bonds (distance) C4'-P energy: -38.961
bonds (distance) P-C4' energy: -41.404
flat angles C4'-P-C4' energy: -46.775
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -34.669
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: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -404.318576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.318576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.318576 (E_RNA)
where:
Base-Base interactions energy: -241.623
where: short stacking energy: -143.233
Base-Backbone interact. energy: -0.719
local terms energy: -161.976581
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -32.820
flat angles P-C4'-P energy: -22.714
tors. eta vs tors. theta energy: -29.449
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: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -370.832597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.832597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.832597 (E_RNA)
where:
Base-Base interactions energy: -219.318
where: short stacking energy: -113.623
Base-Backbone interact. energy: -2.227
local terms energy: -149.287044
where:
bonds (distance) C4'-P energy: -36.183
bonds (distance) P-C4' energy: -39.100
flat angles C4'-P-C4' energy: -32.206
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -21.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -211.976179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.976179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.976179 (E_RNA)
where:
Base-Base interactions energy: -75.173
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.020
local terms energy: -136.782554
where:
bonds (distance) C4'-P energy: -40.316
bonds (distance) P-C4' energy: -40.279
flat angles C4'-P-C4' energy: -30.382
flat angles P-C4'-P energy: -20.520
tors. eta vs tors. theta energy: -5.285
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: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -765.282055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.282055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.282055 (E_RNA)
where:
Base-Base interactions energy: -532.229
where: short stacking energy: -222.016
Base-Backbone interact. energy: -0.402
local terms energy: -232.650315
where:
bonds (distance) C4'-P energy: -42.695
bonds (distance) P-C4' energy: -45.884
flat angles C4'-P-C4' energy: -52.618
flat angles P-C4'-P energy: -29.434
tors. eta vs tors. theta energy: -62.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -728.257142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.257142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.257142 (E_RNA)
where:
Base-Base interactions energy: -512.529
where: short stacking energy: -213.755
Base-Backbone interact. energy: -1.870
local terms energy: -213.857342
where:
bonds (distance) C4'-P energy: -41.184
bonds (distance) P-C4' energy: -41.456
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -28.465
tors. eta vs tors. theta energy: -60.479
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: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -695.534676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.534676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.534676 (E_RNA)
where:
Base-Base interactions energy: -487.028
where: short stacking energy: -201.202
Base-Backbone interact. energy: -1.065
local terms energy: -207.441756
where:
bonds (distance) C4'-P energy: -43.061
bonds (distance) P-C4' energy: -32.657
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -54.317
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: 4, replica: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -689.227835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.227835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.227835 (E_RNA)
where:
Base-Base interactions energy: -465.032
where: short stacking energy: -208.163
Base-Backbone interact. energy: -0.360
local terms energy: -223.835605
where:
bonds (distance) C4'-P energy: -35.546
bonds (distance) P-C4' energy: -38.994
flat angles C4'-P-C4' energy: -52.549
flat angles P-C4'-P energy: -34.063
tors. eta vs tors. theta energy: -62.683
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: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -635.254093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.254093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.254093 (E_RNA)
where:
Base-Base interactions energy: -432.780
where: short stacking energy: -181.983
Base-Backbone interact. energy: -2.287
local terms energy: -200.187495
where:
bonds (distance) C4'-P energy: -39.341
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -51.233
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -48.303
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: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -567.397662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.397662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.397662 (E_RNA)
where:
Base-Base interactions energy: -380.778
where: short stacking energy: -176.251
Base-Backbone interact. energy: 1.420
local terms energy: -188.040039
where:
bonds (distance) C4'-P energy: -30.753
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -42.925
flat angles P-C4'-P energy: -27.586
tors. eta vs tors. theta energy: -39.533
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: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -528.757073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.757073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.757073 (E_RNA)
where:
Base-Base interactions energy: -341.505
where: short stacking energy: -148.812
Base-Backbone interact. energy: -1.836
local terms energy: -185.416243
where:
bonds (distance) C4'-P energy: -43.983
bonds (distance) P-C4' energy: -32.904
flat angles C4'-P-C4' energy: -43.144
flat angles P-C4'-P energy: -31.929
tors. eta vs tors. theta energy: -33.455
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: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -347.781840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.781840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.781840 (E_RNA)
where:
Base-Base interactions energy: -204.393
where: short stacking energy: -113.712
Base-Backbone interact. energy: 0.304
local terms energy: -143.692991
where:
bonds (distance) C4'-P energy: -32.253
bonds (distance) P-C4' energy: -27.572
flat angles C4'-P-C4' energy: -37.187
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -22.257
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: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -388.233999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.233999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.233999 (E_RNA)
where:
Base-Base interactions energy: -236.263
where: short stacking energy: -112.486
Base-Backbone interact. energy: -0.494
local terms energy: -151.477284
where:
bonds (distance) C4'-P energy: -44.910
bonds (distance) P-C4' energy: -33.860
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -23.476
tors. eta vs tors. theta energy: -18.815
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: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -225.088732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.088732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.088732 (E_RNA)
where:
Base-Base interactions energy: -96.128
where: short stacking energy: -88.271
Base-Backbone interact. energy: -1.190
local terms energy: -127.771095
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -39.685
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -26.524
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -750.108707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.108707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.108707 (E_RNA)
where:
Base-Base interactions energy: -518.705
where: short stacking energy: -225.574
Base-Backbone interact. energy: -0.042
local terms energy: -231.361896
where:
bonds (distance) C4'-P energy: -40.081
bonds (distance) P-C4' energy: -47.109
flat angles C4'-P-C4' energy: -47.459
flat angles P-C4'-P energy: -28.960
tors. eta vs tors. theta energy: -67.752
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: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -740.465538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.465538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.465538 (E_RNA)
where:
Base-Base interactions energy: -502.004
where: short stacking energy: -211.406
Base-Backbone interact. energy: -0.219
local terms energy: -238.242112
where:
bonds (distance) C4'-P energy: -43.304
bonds (distance) P-C4' energy: -41.869
flat angles C4'-P-C4' energy: -45.772
flat angles P-C4'-P energy: -39.705
tors. eta vs tors. theta energy: -67.592
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: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -688.184606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.184606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.184606 (E_RNA)
where:
Base-Base interactions energy: -473.396
where: short stacking energy: -197.384
Base-Backbone interact. energy: -1.305
local terms energy: -213.483692
where:
bonds (distance) C4'-P energy: -43.261
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -47.698
flat angles P-C4'-P energy: -29.458
tors. eta vs tors. theta energy: -54.060
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: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -670.461861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.461861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.461861 (E_RNA)
where:
Base-Base interactions energy: -464.729
where: short stacking energy: -209.886
Base-Backbone interact. energy: -1.669
local terms energy: -204.064502
where:
bonds (distance) C4'-P energy: -37.292
bonds (distance) P-C4' energy: -39.020
flat angles C4'-P-C4' energy: -42.910
flat angles P-C4'-P energy: -29.181
tors. eta vs tors. theta energy: -55.662
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: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -628.260738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.260738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.260738 (E_RNA)
where:
Base-Base interactions energy: -430.257
where: short stacking energy: -176.513
Base-Backbone interact. energy: -1.384
local terms energy: -196.620253
where:
bonds (distance) C4'-P energy: -34.761
bonds (distance) P-C4' energy: -39.940
flat angles C4'-P-C4' energy: -44.431
flat angles P-C4'-P energy: -28.306
tors. eta vs tors. theta energy: -49.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -572.225779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.225779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.225779 (E_RNA)
where:
Base-Base interactions energy: -380.142
where: short stacking energy: -173.145
Base-Backbone interact. energy: 1.283
local terms energy: -193.366928
where:
bonds (distance) C4'-P energy: -36.001
bonds (distance) P-C4' energy: -32.069
flat angles C4'-P-C4' energy: -45.192
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -50.743
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: 7, replica: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -542.259956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.259956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.259956 (E_RNA)
where:
Base-Base interactions energy: -342.245
where: short stacking energy: -156.335
Base-Backbone interact. energy: -1.097
local terms energy: -198.917950
where:
bonds (distance) C4'-P energy: -44.035
bonds (distance) P-C4' energy: -38.783
flat angles C4'-P-C4' energy: -43.123
flat angles P-C4'-P energy: -33.702
tors. eta vs tors. theta energy: -39.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -329.934912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.934912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.934912 (E_RNA)
where:
Base-Base interactions energy: -185.876
where: short stacking energy: -97.778
Base-Backbone interact. energy: 1.006
local terms energy: -145.065105
where:
bonds (distance) C4'-P energy: -36.582
bonds (distance) P-C4' energy: -46.044
flat angles C4'-P-C4' energy: -33.059
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -12.794
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: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -353.952823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.952823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.952823 (E_RNA)
where:
Base-Base interactions energy: -222.245
where: short stacking energy: -113.115
Base-Backbone interact. energy: -0.302
local terms energy: -131.405539
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -34.347
flat angles C4'-P-C4' energy: -32.877
flat angles P-C4'-P energy: -23.782
tors. eta vs tors. theta energy: -16.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -202.196237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.196237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.196237 (E_RNA)
where:
Base-Base interactions energy: -73.581
where: short stacking energy: -53.944
Base-Backbone interact. energy: -0.896
local terms energy: -127.718906
where:
bonds (distance) C4'-P energy: -41.032
bonds (distance) P-C4' energy: -42.082
flat angles C4'-P-C4' energy: -27.684
flat angles P-C4'-P energy: -19.664
tors. eta vs tors. theta energy: 2.743
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: 1, replica: 6
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -750.357068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.357068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.357068 (E_RNA)
where:
Base-Base interactions energy: -535.189
where: short stacking energy: -216.054
Base-Backbone interact. energy: -1.820
local terms energy: -213.348379
where:
bonds (distance) C4'-P energy: -36.408
bonds (distance) P-C4' energy: -46.368
flat angles C4'-P-C4' energy: -39.779
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -64.955
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: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -736.819383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.819383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.819383 (E_RNA)
where:
Base-Base interactions energy: -509.985
where: short stacking energy: -205.803
Base-Backbone interact. energy: -1.711
local terms energy: -225.123765
where:
bonds (distance) C4'-P energy: -30.898
bonds (distance) P-C4' energy: -47.873
flat angles C4'-P-C4' energy: -48.700
flat angles P-C4'-P energy: -32.900
tors. eta vs tors. theta energy: -64.752
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: 2
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -695.488083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.488083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.488083 (E_RNA)
where:
Base-Base interactions energy: -474.619
where: short stacking energy: -199.344
Base-Backbone interact. energy: -1.061
local terms energy: -219.808014
where:
bonds (distance) C4'-P energy: -43.434
bonds (distance) P-C4' energy: -42.291
flat angles C4'-P-C4' energy: -43.681
flat angles P-C4'-P energy: -33.875
tors. eta vs tors. theta energy: -56.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -694.288664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.288664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.288664 (E_RNA)
where:
Base-Base interactions energy: -486.227
where: short stacking energy: -211.858
Base-Backbone interact. energy: -0.964
local terms energy: -207.097034
where:
bonds (distance) C4'-P energy: -41.351
bonds (distance) P-C4' energy: -36.599
flat angles C4'-P-C4' energy: -44.616
flat angles P-C4'-P energy: -27.606
tors. eta vs tors. theta energy: -56.924
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: 5, replica: 3
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -647.461070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.461070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.461070 (E_RNA)
where:
Base-Base interactions energy: -444.615
where: short stacking energy: -184.530
Base-Backbone interact. energy: 1.858
local terms energy: -204.703820
where:
bonds (distance) C4'-P energy: -32.603
bonds (distance) P-C4' energy: -46.871
flat angles C4'-P-C4' energy: -45.142
flat angles P-C4'-P energy: -27.000
tors. eta vs tors. theta energy: -53.089
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: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -583.787159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.787159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.787159 (E_RNA)
where:
Base-Base interactions energy: -385.216
where: short stacking energy: -164.802
Base-Backbone interact. energy: -1.623
local terms energy: -196.948178
where:
bonds (distance) C4'-P energy: -29.820
bonds (distance) P-C4' energy: -42.359
flat angles C4'-P-C4' energy: -44.940
flat angles P-C4'-P energy: -31.992
tors. eta vs tors. theta energy: -47.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -519.363189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.363189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.363189 (E_RNA)
where:
Base-Base interactions energy: -341.078
where: short stacking energy: -143.379
Base-Backbone interact. energy: 0.546
local terms energy: -178.830679
where:
bonds (distance) C4'-P energy: -45.848
bonds (distance) P-C4' energy: -38.463
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -30.316
tors. eta vs tors. theta energy: -25.349
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: 8
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -337.981454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.981454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.981454 (E_RNA)
where:
Base-Base interactions energy: -178.868
where: short stacking energy: -113.483
Base-Backbone interact. energy: 0.483
local terms energy: -159.596572
where:
bonds (distance) C4'-P energy: -38.012
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -39.182
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -17.623
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: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -350.810000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.810000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.810000 (E_RNA)
where:
Base-Base interactions energy: -197.515
where: short stacking energy: -90.583
Base-Backbone interact. energy: -0.695
local terms energy: -152.599510
where:
bonds (distance) C4'-P energy: -42.151
bonds (distance) P-C4' energy: -42.394
flat angles C4'-P-C4' energy: -31.691
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -13.965
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: 9
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -250.071301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.071301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.071301 (E_RNA)
where:
Base-Base interactions energy: -129.216
where: short stacking energy: -73.577
Base-Backbone interact. energy: -1.259
local terms energy: -119.595865
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -37.605
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -17.317
tors. eta vs tors. theta energy: -8.404
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: 6
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -740.221929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.221929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.221929 (E_RNA)
where:
Base-Base interactions energy: -514.098
where: short stacking energy: -208.124
Base-Backbone interact. energy: -1.071
local terms energy: -225.053920
where:
bonds (distance) C4'-P energy: -41.857
bonds (distance) P-C4' energy: -44.000
flat angles C4'-P-C4' energy: -39.966
flat angles P-C4'-P energy: -35.270
tors. eta vs tors. theta energy: -63.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -746.516293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.516293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.516293 (E_RNA)
where:
Base-Base interactions energy: -516.297
where: short stacking energy: -214.478
Base-Backbone interact. energy: -1.534
local terms energy: -228.685011
where:
bonds (distance) C4'-P energy: -39.069
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -40.990
flat angles P-C4'-P energy: -33.132
tors. eta vs tors. theta energy: -66.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -716.588667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.588667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.588667 (E_RNA)
where:
Base-Base interactions energy: -498.218
where: short stacking energy: -207.931
Base-Backbone interact. energy: 0.633
local terms energy: -219.003383
where:
bonds (distance) C4'-P energy: -47.942
bonds (distance) P-C4' energy: -46.501
flat angles C4'-P-C4' energy: -36.723
flat angles P-C4'-P energy: -33.607
tors. eta vs tors. theta energy: -54.230
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: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -679.821374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.821374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.821374 (E_RNA)
where:
Base-Base interactions energy: -469.980
where: short stacking energy: -200.955
Base-Backbone interact. energy: -1.111
local terms energy: -208.730120
where:
bonds (distance) C4'-P energy: -37.957
bonds (distance) P-C4' energy: -40.432
flat angles C4'-P-C4' energy: -44.486
flat angles P-C4'-P energy: -28.171
tors. eta vs tors. theta energy: -57.685
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: 5, replica: 3
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -646.432546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.432546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.432546 (E_RNA)
where:
Base-Base interactions energy: -429.564
where: short stacking energy: -205.329
Base-Backbone interact. energy: -0.898
local terms energy: -215.970267
where:
bonds (distance) C4'-P energy: -40.280
bonds (distance) P-C4' energy: -39.682
flat angles C4'-P-C4' energy: -46.281
flat angles P-C4'-P energy: -32.394
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: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -610.538363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.538363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.538363 (E_RNA)
where:
Base-Base interactions energy: -424.771
where: short stacking energy: -187.354
Base-Backbone interact. energy: -0.281
local terms energy: -185.485755
where:
bonds (distance) C4'-P energy: -37.479
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -38.382
flat angles P-C4'-P energy: -26.652
tors. eta vs tors. theta energy: -44.642
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: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -550.393749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.393749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.393749 (E_RNA)
where:
Base-Base interactions energy: -357.191
where: short stacking energy: -149.339
Base-Backbone interact. energy: -1.194
local terms energy: -192.008758
where:
bonds (distance) C4'-P energy: -33.204
bonds (distance) P-C4' energy: -43.583
flat angles C4'-P-C4' energy: -45.912
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -43.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -311.748762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.748762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.748762 (E_RNA)
where:
Base-Base interactions energy: -168.986
where: short stacking energy: -103.244
Base-Backbone interact. energy: -0.859
local terms energy: -141.903730
where:
bonds (distance) C4'-P energy: -35.045
bonds (distance) P-C4' energy: -35.725
flat angles C4'-P-C4' energy: -27.729
flat angles P-C4'-P energy: -26.290
tors. eta vs tors. theta energy: -17.115
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: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -355.803750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.803750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.803750 (E_RNA)
where:
Base-Base interactions energy: -212.719
where: short stacking energy: -108.358
Base-Backbone interact. energy: -2.084
local terms energy: -141.001439
where:
bonds (distance) C4'-P energy: -31.447
bonds (distance) P-C4' energy: -34.943
flat angles C4'-P-C4' energy: -42.091
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -212.841693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.841693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.841693 (E_RNA)
where:
Base-Base interactions energy: -78.749
where: short stacking energy: -60.209
Base-Backbone interact. energy: -0.670
local terms energy: -133.422831
where:
bonds (distance) C4'-P energy: -39.287
bonds (distance) P-C4' energy: -37.416
flat angles C4'-P-C4' energy: -24.907
flat angles P-C4'-P energy: -28.749
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -751.817519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.817519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.817519 (E_RNA)
where:
Base-Base interactions energy: -527.161
where: short stacking energy: -221.997
Base-Backbone interact. energy: 0.036
local terms energy: -224.692685
where:
bonds (distance) C4'-P energy: -43.672
bonds (distance) P-C4' energy: -42.753
flat angles C4'-P-C4' energy: -50.987
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -64.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -746.927549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.927549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.927549 (E_RNA)
where:
Base-Base interactions energy: -513.407
where: short stacking energy: -211.524
Base-Backbone interact. energy: -3.422
local terms energy: -230.098767
where:
bonds (distance) C4'-P energy: -44.387
bonds (distance) P-C4' energy: -40.314
flat angles C4'-P-C4' energy: -47.333
flat angles P-C4'-P energy: -35.401
tors. eta vs tors. theta energy: -62.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -713.949413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.949413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.949413 (E_RNA)
where:
Base-Base interactions energy: -491.111
where: short stacking energy: -202.872
Base-Backbone interact. energy: -2.296
local terms energy: -220.542395
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -42.640
flat angles C4'-P-C4' energy: -45.316
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -58.087
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: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -679.627376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.627376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.627376 (E_RNA)
where:
Base-Base interactions energy: -464.300
where: short stacking energy: -206.481
Base-Backbone interact. energy: -0.977
local terms energy: -214.350198
where:
bonds (distance) C4'-P energy: -40.133
bonds (distance) P-C4' energy: -38.790
flat angles C4'-P-C4' energy: -45.734
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -60.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -656.694436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.694436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.694436 (E_RNA)
where:
Base-Base interactions energy: -452.393
where: short stacking energy: -190.879
Base-Backbone interact. energy: 0.526
local terms energy: -204.827687
where:
bonds (distance) C4'-P energy: -39.341
bonds (distance) P-C4' energy: -41.165
flat angles C4'-P-C4' energy: -44.787
flat angles P-C4'-P energy: -30.709
tors. eta vs tors. theta energy: -48.825
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: 6, replica: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -584.795269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.795269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.795269 (E_RNA)
where:
Base-Base interactions energy: -390.856
where: short stacking energy: -173.735
Base-Backbone interact. energy: -0.526
local terms energy: -193.413205
where:
bonds (distance) C4'-P energy: -36.299
bonds (distance) P-C4' energy: -47.011
flat angles C4'-P-C4' energy: -40.704
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: -43.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -546.109978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.109978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.109978 (E_RNA)
where:
Base-Base interactions energy: -368.466
where: short stacking energy: -166.440
Base-Backbone interact. energy: -0.669
local terms energy: -176.974787
where:
bonds (distance) C4'-P energy: -37.110
bonds (distance) P-C4' energy: -40.409
flat angles C4'-P-C4' energy: -38.213
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -37.228
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: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -412.452621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.452621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.452621 (E_RNA)
where:
Base-Base interactions energy: -237.200
where: short stacking energy: -117.918
Base-Backbone interact. energy: 0.633
local terms energy: -175.885636
where:
bonds (distance) C4'-P energy: -38.327
bonds (distance) P-C4' energy: -41.069
flat angles C4'-P-C4' energy: -45.280
flat angles P-C4'-P energy: -23.035
tors. eta vs tors. theta energy: -28.174
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: 8
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -331.102424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.102424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.102424 (E_RNA)
where:
Base-Base interactions energy: -186.182
where: short stacking energy: -88.532
Base-Backbone interact. energy: -1.133
local terms energy: -143.787550
where:
bonds (distance) C4'-P energy: -39.231
bonds (distance) P-C4' energy: -28.427
flat angles C4'-P-C4' energy: -42.420
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: -8.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -210.288725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.288725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.288725 (E_RNA)
where:
Base-Base interactions energy: -83.876
where: short stacking energy: -62.737
Base-Backbone interact. energy: 2.655
local terms energy: -129.068120
where:
bonds (distance) C4'-P energy: -29.855
bonds (distance) P-C4' energy: -44.892
flat angles C4'-P-C4' energy: -29.915
flat angles P-C4'-P energy: -28.926
tors. eta vs tors. theta energy: 4.520
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: 6
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -736.344774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.344774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.344774 (E_RNA)
where:
Base-Base interactions energy: -512.849
where: short stacking energy: -220.449
Base-Backbone interact. energy: -0.312
local terms energy: -223.183886
where:
bonds (distance) C4'-P energy: -39.347
bonds (distance) P-C4' energy: -44.113
flat angles C4'-P-C4' energy: -46.779
flat angles P-C4'-P energy: -30.845
tors. eta vs tors. theta energy: -62.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -744.709442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.709442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.709442 (E_RNA)
where:
Base-Base interactions energy: -521.538
where: short stacking energy: -222.492
Base-Backbone interact. energy: -1.810
local terms energy: -221.361308
where:
bonds (distance) C4'-P energy: -30.271
bonds (distance) P-C4' energy: -41.604
flat angles C4'-P-C4' energy: -51.677
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -69.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -714.605452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.605452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.605452 (E_RNA)
where:
Base-Base interactions energy: -499.640
where: short stacking energy: -218.290
Base-Backbone interact. energy: -1.143
local terms energy: -213.821831
where:
bonds (distance) C4'-P energy: -35.874
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -48.336
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -61.865
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: 4, replica: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -682.044336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.044336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.044336 (E_RNA)
where:
Base-Base interactions energy: -472.654
where: short stacking energy: -211.545
Base-Backbone interact. energy: -1.009
local terms energy: -208.380599
where:
bonds (distance) C4'-P energy: -33.299
bonds (distance) P-C4' energy: -45.355
flat angles C4'-P-C4' energy: -38.863
flat angles P-C4'-P energy: -33.378
tors. eta vs tors. theta energy: -57.486
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: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -613.553645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.553645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.553645 (E_RNA)
where:
Base-Base interactions energy: -412.980
where: short stacking energy: -183.282
Base-Backbone interact. energy: 2.501
local terms energy: -203.073926
where:
bonds (distance) C4'-P energy: -37.155
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -47.787
flat angles P-C4'-P energy: -33.221
tors. eta vs tors. theta energy: -47.484
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: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -596.169547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.169547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.169547 (E_RNA)
where:
Base-Base interactions energy: -402.789
where: short stacking energy: -167.329
Base-Backbone interact. energy: -1.029
local terms energy: -192.351709
where:
bonds (distance) C4'-P energy: -41.537
bonds (distance) P-C4' energy: -30.524
flat angles C4'-P-C4' energy: -47.494
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -49.258
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: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -534.227635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.227635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.227635 (E_RNA)
where:
Base-Base interactions energy: -366.118
where: short stacking energy: -164.204
Base-Backbone interact. energy: -0.889
local terms energy: -167.220618
where:
bonds (distance) C4'-P energy: -30.830
bonds (distance) P-C4' energy: -31.930
flat angles C4'-P-C4' energy: -41.167
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -37.741
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: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -455.505121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.505121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.505121 (E_RNA)
where:
Base-Base interactions energy: -278.064
where: short stacking energy: -142.840
Base-Backbone interact. energy: 2.872
local terms energy: -180.313151
where:
bonds (distance) C4'-P energy: -44.143
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -39.313
flat angles P-C4'-P energy: -30.197
tors. eta vs tors. theta energy: -32.680
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: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -362.217887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.217887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.217887 (E_RNA)
where:
Base-Base interactions energy: -202.976
where: short stacking energy: -97.348
Base-Backbone interact. energy: 0.488
local terms energy: -159.729522
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -37.918
flat angles C4'-P-C4' energy: -37.858
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -19.522
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: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -194.823891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.823891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.823891 (E_RNA)
where:
Base-Base interactions energy: -72.118
where: short stacking energy: -59.528
Base-Backbone interact. energy: 0.328
local terms energy: -123.034107
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -38.387
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: 5.581
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: 6
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -761.077464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.077464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.077464 (E_RNA)
where:
Base-Base interactions energy: -525.921
where: short stacking energy: -228.764
Base-Backbone interact. energy: -0.914
local terms energy: -234.242554
where:
bonds (distance) C4'-P energy: -46.074
bonds (distance) P-C4' energy: -46.865
flat angles C4'-P-C4' energy: -45.107
flat angles P-C4'-P energy: -25.584
tors. eta vs tors. theta energy: -70.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -741.207291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.207291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.207291 (E_RNA)
where:
Base-Base interactions energy: -512.357
where: short stacking energy: -232.122
Base-Backbone interact. energy: -1.085
local terms energy: -227.764689
where:
bonds (distance) C4'-P energy: -38.114
bonds (distance) P-C4' energy: -43.914
flat angles C4'-P-C4' energy: -50.497
flat angles P-C4'-P energy: -31.739
tors. eta vs tors. theta energy: -63.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -709.537788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.537788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.537788 (E_RNA)
where:
Base-Base interactions energy: -492.472
where: short stacking energy: -220.458
Base-Backbone interact. energy: 0.172
local terms energy: -217.237724
where:
bonds (distance) C4'-P energy: -38.020
bonds (distance) P-C4' energy: -40.204
flat angles C4'-P-C4' energy: -42.617
flat angles P-C4'-P energy: -30.059
tors. eta vs tors. theta energy: -66.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -691.557864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.557864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.557864 (E_RNA)
where:
Base-Base interactions energy: -475.271
where: short stacking energy: -198.768
Base-Backbone interact. energy: -1.022
local terms energy: -215.264871
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -42.621
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -36.817
tors. eta vs tors. theta energy: -55.410
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: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -598.843733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.843733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.843733 (E_RNA)
where:
Base-Base interactions energy: -404.190
where: short stacking energy: -178.500
Base-Backbone interact. energy: 0.882
local terms energy: -195.536630
where:
bonds (distance) C4'-P energy: -44.469
bonds (distance) P-C4' energy: -37.003
flat angles C4'-P-C4' energy: -43.503
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: -45.528
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: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -545.625774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.625774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.625774 (E_RNA)
where:
Base-Base interactions energy: -349.999
where: short stacking energy: -148.539
Base-Backbone interact. energy: -1.354
local terms energy: -194.273068
where:
bonds (distance) C4'-P energy: -43.486
bonds (distance) P-C4' energy: -39.795
flat angles C4'-P-C4' energy: -45.059
flat angles P-C4'-P energy: -22.326
tors. eta vs tors. theta energy: -43.607
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: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -551.701814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.701814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.701814 (E_RNA)
where:
Base-Base interactions energy: -368.105
where: short stacking energy: -185.002
Base-Backbone interact. energy: -0.524
local terms energy: -183.072858
where:
bonds (distance) C4'-P energy: -31.365
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -45.743
flat angles P-C4'-P energy: -25.438
tors. eta vs tors. theta energy: -43.100
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: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -418.224673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.224673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.224673 (E_RNA)
where:
Base-Base interactions energy: -259.560
where: short stacking energy: -133.160
Base-Backbone interact. energy: -0.296
local terms energy: -158.368745
where:
bonds (distance) C4'-P energy: -25.772
bonds (distance) P-C4' energy: -33.869
flat angles C4'-P-C4' energy: -43.225
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -33.437
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: 9, replica: 8
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -358.989385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.989385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.989385 (E_RNA)
where:
Base-Base interactions energy: -229.665
where: short stacking energy: -100.742
Base-Backbone interact. energy: -1.063
local terms energy: -128.261868
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -27.148
flat angles C4'-P-C4' energy: -35.991
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -10.986
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: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -197.939626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.939626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.939626 (E_RNA)
where:
Base-Base interactions energy: -67.674
where: short stacking energy: -59.973
Base-Backbone interact. energy: 1.658
local terms energy: -131.923634
where:
bonds (distance) C4'-P energy: -33.198
bonds (distance) P-C4' energy: -31.997
flat angles C4'-P-C4' energy: -30.053
flat angles P-C4'-P energy: -26.424
tors. eta vs tors. theta energy: -10.252
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: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -759.628621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.628621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.628621 (E_RNA)
where:
Base-Base interactions energy: -527.387
where: short stacking energy: -233.512
Base-Backbone interact. energy: -0.482
local terms energy: -231.760046
where:
bonds (distance) C4'-P energy: -43.947
bonds (distance) P-C4' energy: -43.151
flat angles C4'-P-C4' energy: -46.340
flat angles P-C4'-P energy: -33.468
tors. eta vs tors. theta energy: -64.854
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: 2, replica: 6
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -742.777100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.777100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.777100 (E_RNA)
where:
Base-Base interactions energy: -525.063
where: short stacking energy: -230.048
Base-Backbone interact. energy: -1.147
local terms energy: -216.567729
where:
bonds (distance) C4'-P energy: -46.607
bonds (distance) P-C4' energy: -39.068
flat angles C4'-P-C4' energy: -38.083
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -65.767
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: 2
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -727.201829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.201829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.201829 (E_RNA)
where:
Base-Base interactions energy: -491.557
where: short stacking energy: -217.796
Base-Backbone interact. energy: 0.745
local terms energy: -236.390283
where:
bonds (distance) C4'-P energy: -41.159
bonds (distance) P-C4' energy: -50.001
flat angles C4'-P-C4' energy: -50.717
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -60.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -689.111218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.111218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.111218 (E_RNA)
where:
Base-Base interactions energy: -463.301
where: short stacking energy: -199.721
Base-Backbone interact. energy: -1.727
local terms energy: -224.083269
where:
bonds (distance) C4'-P energy: -44.600
bonds (distance) P-C4' energy: -46.551
flat angles C4'-P-C4' energy: -48.243
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: -57.792
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: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -590.311717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.311717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.311717 (E_RNA)
where:
Base-Base interactions energy: -390.976
where: short stacking energy: -173.897
Base-Backbone interact. energy: -0.396
local terms energy: -198.939553
where:
bonds (distance) C4'-P energy: -38.433
bonds (distance) P-C4' energy: -43.415
flat angles C4'-P-C4' energy: -45.390
flat angles P-C4'-P energy: -35.307
tors. eta vs tors. theta energy: -36.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -523.079831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.079831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.079831 (E_RNA)
where:
Base-Base interactions energy: -325.915
where: short stacking energy: -158.846
Base-Backbone interact. energy: -1.552
local terms energy: -195.612807
where:
bonds (distance) C4'-P energy: -37.337
bonds (distance) P-C4' energy: -44.769
flat angles C4'-P-C4' energy: -40.373
flat angles P-C4'-P energy: -34.633
tors. eta vs tors. theta energy: -38.501
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: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -557.886068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.886068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.886068 (E_RNA)
where:
Base-Base interactions energy: -362.845
where: short stacking energy: -167.776
Base-Backbone interact. energy: -1.126
local terms energy: -193.914800
where:
bonds (distance) C4'-P energy: -31.840
bonds (distance) P-C4' energy: -39.161
flat angles C4'-P-C4' energy: -49.376
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -47.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -440.684764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.684764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.684764 (E_RNA)
where:
Base-Base interactions energy: -274.574
where: short stacking energy: -140.398
Base-Backbone interact. energy: -0.315
local terms energy: -165.795943
where:
bonds (distance) C4'-P energy: -36.645
bonds (distance) P-C4' energy: -40.368
flat angles C4'-P-C4' energy: -32.923
flat angles P-C4'-P energy: -28.224
tors. eta vs tors. theta energy: -27.636
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: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -353.359778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.359778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.359778 (E_RNA)
where:
Base-Base interactions energy: -204.510
where: short stacking energy: -101.240
Base-Backbone interact. energy: 0.052
local terms energy: -148.901738
where:
bonds (distance) C4'-P energy: -36.073
bonds (distance) P-C4' energy: -40.637
flat angles C4'-P-C4' energy: -34.295
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -200.567380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.567380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.567380 (E_RNA)
where:
Base-Base interactions energy: -96.228
where: short stacking energy: -59.259
Base-Backbone interact. energy: 0.203
local terms energy: -104.542734
where:
bonds (distance) C4'-P energy: -34.838
bonds (distance) P-C4' energy: -36.315
flat angles C4'-P-C4' energy: -25.060
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: 2.875
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: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -764.693732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.693732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.693732 (E_RNA)
where:
Base-Base interactions energy: -527.215
where: short stacking energy: -234.727
Base-Backbone interact. energy: -2.650
local terms energy: -234.828748
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -38.044
flat angles C4'-P-C4' energy: -51.200
flat angles P-C4'-P energy: -33.927
tors. eta vs tors. theta energy: -66.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -736.258654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.258654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.258654 (E_RNA)
where:
Base-Base interactions energy: -501.457
where: short stacking energy: -212.550
Base-Backbone interact. energy: -0.836
local terms energy: -233.965494
where:
bonds (distance) C4'-P energy: -43.575
bonds (distance) P-C4' energy: -41.204
flat angles C4'-P-C4' energy: -48.875
flat angles P-C4'-P energy: -32.975
tors. eta vs tors. theta energy: -67.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -715.764593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.764593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.764593 (E_RNA)
where:
Base-Base interactions energy: -487.800
where: short stacking energy: -205.441
Base-Backbone interact. energy: 0.290
local terms energy: -228.254072
where:
bonds (distance) C4'-P energy: -43.019
bonds (distance) P-C4' energy: -37.147
flat angles C4'-P-C4' energy: -48.524
flat angles P-C4'-P energy: -33.590
tors. eta vs tors. theta energy: -65.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -691.704292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.704292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.704292 (E_RNA)
where:
Base-Base interactions energy: -469.771
where: short stacking energy: -201.687
Base-Backbone interact. energy: -2.348
local terms energy: -219.585691
where:
bonds (distance) C4'-P energy: -45.684
bonds (distance) P-C4' energy: -41.005
flat angles C4'-P-C4' energy: -42.243
flat angles P-C4'-P energy: -31.559
tors. eta vs tors. theta energy: -59.094
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: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -605.675615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.675615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.675615 (E_RNA)
where:
Base-Base interactions energy: -383.454
where: short stacking energy: -180.905
Base-Backbone interact. energy: -0.056
local terms energy: -222.166132
where:
bonds (distance) C4'-P energy: -43.859
bonds (distance) P-C4' energy: -45.119
flat angles C4'-P-C4' energy: -48.239
flat angles P-C4'-P energy: -31.692
tors. eta vs tors. theta energy: -53.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -555.126678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.126678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.126678 (E_RNA)
where:
Base-Base interactions energy: -362.316
where: short stacking energy: -175.011
Base-Backbone interact. energy: -1.006
local terms energy: -191.804166
where:
bonds (distance) C4'-P energy: -37.446
bonds (distance) P-C4' energy: -42.190
flat angles C4'-P-C4' energy: -45.963
flat angles P-C4'-P energy: -25.124
tors. eta vs tors. theta energy: -41.082
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: 7, replica: 3
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -476.430378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.430378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.430378 (E_RNA)
where:
Base-Base interactions energy: -316.034
where: short stacking energy: -157.334
Base-Backbone interact. energy: -0.339
local terms energy: -160.057348
where:
bonds (distance) C4'-P energy: -33.767
bonds (distance) P-C4' energy: -34.316
flat angles C4'-P-C4' energy: -35.098
flat angles P-C4'-P energy: -19.886
tors. eta vs tors. theta energy: -36.990
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: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -407.185233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.185233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.185233 (E_RNA)
where:
Base-Base interactions energy: -247.890
where: short stacking energy: -122.901
Base-Backbone interact. energy: -3.003
local terms energy: -156.292672
where:
bonds (distance) C4'-P energy: -36.798
bonds (distance) P-C4' energy: -35.087
flat angles C4'-P-C4' energy: -44.573
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: -17.984
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: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -381.022844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.022844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.022844 (E_RNA)
where:
Base-Base interactions energy: -252.774
where: short stacking energy: -112.679
Base-Backbone interact. energy: -0.435
local terms energy: -127.814095
where:
bonds (distance) C4'-P energy: -37.448
bonds (distance) P-C4' energy: -32.456
flat angles C4'-P-C4' energy: -26.642
flat angles P-C4'-P energy: -22.667
tors. eta vs tors. theta energy: -8.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -207.762825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.762825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.762825 (E_RNA)
where:
Base-Base interactions energy: -92.090
where: short stacking energy: -52.658
Base-Backbone interact. energy: 0.990
local terms energy: -116.662779
where:
bonds (distance) C4'-P energy: -31.547
bonds (distance) P-C4' energy: -29.129
flat angles C4'-P-C4' energy: -34.006
flat angles P-C4'-P energy: -22.654
tors. eta vs tors. theta energy: 0.673
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: 226
Temperature: 0.900000
Total energy: -767.568667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.568667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.568667 (E_RNA)
where:
Base-Base interactions energy: -524.020
where: short stacking energy: -216.529
Base-Backbone interact. energy: 0.119
local terms energy: -243.667893
where:
bonds (distance) C4'-P energy: -47.879
bonds (distance) P-C4' energy: -46.403
flat angles C4'-P-C4' energy: -48.180
flat angles P-C4'-P energy: -33.912
tors. eta vs tors. theta energy: -67.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -728.058373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.058373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.058373 (E_RNA)
where:
Base-Base interactions energy: -495.152
where: short stacking energy: -201.032
Base-Backbone interact. energy: -1.482
local terms energy: -231.423904
where:
bonds (distance) C4'-P energy: -40.464
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -48.413
flat angles P-C4'-P energy: -32.533
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: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -705.230502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.230502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.230502 (E_RNA)
where:
Base-Base interactions energy: -487.770
where: short stacking energy: -202.554
Base-Backbone interact. energy: -0.747
local terms energy: -216.712736
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -36.928
flat angles C4'-P-C4' energy: -41.014
flat angles P-C4'-P energy: -28.612
tors. eta vs tors. theta energy: -63.987
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: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -706.866324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.866324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.866324 (E_RNA)
where:
Base-Base interactions energy: -492.408
where: short stacking energy: -203.771
Base-Backbone interact. energy: 0.443
local terms energy: -214.901131
where:
bonds (distance) C4'-P energy: -36.647
bonds (distance) P-C4' energy: -39.430
flat angles C4'-P-C4' energy: -46.907
flat angles P-C4'-P energy: -34.445
tors. eta vs tors. theta energy: -57.472
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: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -601.300068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.300068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.300068 (E_RNA)
where:
Base-Base interactions energy: -405.528
where: short stacking energy: -182.542
Base-Backbone interact. energy: 1.439
local terms energy: -197.211353
where:
bonds (distance) C4'-P energy: -34.313
bonds (distance) P-C4' energy: -36.948
flat angles C4'-P-C4' energy: -40.617
flat angles P-C4'-P energy: -34.060
tors. eta vs tors. theta energy: -51.274
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: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -557.498432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.498432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.498432 (E_RNA)
where:
Base-Base interactions energy: -375.667
where: short stacking energy: -178.818
Base-Backbone interact. energy: 0.944
local terms energy: -182.774977
where:
bonds (distance) C4'-P energy: -38.430
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -26.740
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: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -506.815390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.815390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.815390 (E_RNA)
where:
Base-Base interactions energy: -329.165
where: short stacking energy: -152.325
Base-Backbone interact. energy: -1.252
local terms energy: -176.398817
where:
bonds (distance) C4'-P energy: -30.918
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -41.542
flat angles P-C4'-P energy: -24.562
tors. eta vs tors. theta energy: -39.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -389.826032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.826032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.826032 (E_RNA)
where:
Base-Base interactions energy: -244.888
where: short stacking energy: -109.239
Base-Backbone interact. energy: 5.588
local terms energy: -150.525400
where:
bonds (distance) C4'-P energy: -36.053
bonds (distance) P-C4' energy: -47.024
flat angles C4'-P-C4' energy: -31.941
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -411.322500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.322500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.322500 (E_RNA)
where:
Base-Base interactions energy: -258.574
where: short stacking energy: -117.700
Base-Backbone interact. energy: 0.986
local terms energy: -153.734695
where:
bonds (distance) C4'-P energy: -37.910
bonds (distance) P-C4' energy: -38.489
flat angles C4'-P-C4' energy: -31.937
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -24.746
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: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -207.783282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.783282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.783282 (E_RNA)
where:
Base-Base interactions energy: -94.210
where: short stacking energy: -65.766
Base-Backbone interact. energy: 0.064
local terms energy: -113.637169
where:
bonds (distance) C4'-P energy: -28.019
bonds (distance) P-C4' energy: -41.371
flat angles C4'-P-C4' energy: -24.259
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -2.196
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: 1, replica: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -788.259005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.259005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.259005 (E_RNA)
where:
Base-Base interactions energy: -543.557
where: short stacking energy: -224.442
Base-Backbone interact. energy: -1.393
local terms energy: -243.308886
where:
bonds (distance) C4'-P energy: -42.299
bonds (distance) P-C4' energy: -46.517
flat angles C4'-P-C4' energy: -50.778
flat angles P-C4'-P energy: -40.646
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: 2, replica: 6
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -736.757746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.757746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.757746 (E_RNA)
where:
Base-Base interactions energy: -513.849
where: short stacking energy: -211.494
Base-Backbone interact. energy: 1.107
local terms energy: -224.015680
where:
bonds (distance) C4'-P energy: -45.676
bonds (distance) P-C4' energy: -35.239
flat angles C4'-P-C4' energy: -45.398
flat angles P-C4'-P energy: -31.842
tors. eta vs tors. theta energy: -65.861
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: 3, replica: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -729.040955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.040955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.040955 (E_RNA)
where:
Base-Base interactions energy: -496.710
where: short stacking energy: -217.781
Base-Backbone interact. energy: -0.108
local terms energy: -232.222773
where:
bonds (distance) C4'-P energy: -38.721
bonds (distance) P-C4' energy: -38.751
flat angles C4'-P-C4' energy: -51.188
flat angles P-C4'-P energy: -38.467
tors. eta vs tors. theta energy: -65.095
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: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -686.184278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.184278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.184278 (E_RNA)
where:
Base-Base interactions energy: -467.683
where: short stacking energy: -207.555
Base-Backbone interact. energy: -0.014
local terms energy: -218.487136
where:
bonds (distance) C4'-P energy: -44.453
bonds (distance) P-C4' energy: -42.802
flat angles C4'-P-C4' energy: -40.454
flat angles P-C4'-P energy: -32.009
tors. eta vs tors. theta energy: -58.769
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: 5, replica: 1
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -615.952623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.952623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.952623 (E_RNA)
where:
Base-Base interactions energy: -407.427
where: short stacking energy: -203.532
Base-Backbone interact. energy: -0.709
local terms energy: -207.817091
where:
bonds (distance) C4'-P energy: -38.376
bonds (distance) P-C4' energy: -39.689
flat angles C4'-P-C4' energy: -43.842
flat angles P-C4'-P energy: -28.853
tors. eta vs tors. theta energy: -57.058
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: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -533.584528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.584528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.584528 (E_RNA)
where:
Base-Base interactions energy: -358.293
where: short stacking energy: -165.834
Base-Backbone interact. energy: 0.690
local terms energy: -175.981736
where:
bonds (distance) C4'-P energy: -31.907
bonds (distance) P-C4' energy: -28.246
flat angles C4'-P-C4' energy: -41.618
flat angles P-C4'-P energy: -23.036
tors. eta vs tors. theta energy: -51.174
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: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -549.761855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.761855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.761855 (E_RNA)
where:
Base-Base interactions energy: -363.999
where: short stacking energy: -175.377
Base-Backbone interact. energy: 0.457
local terms energy: -186.219834
where:
bonds (distance) C4'-P energy: -31.112
bonds (distance) P-C4' energy: -43.134
flat angles C4'-P-C4' energy: -43.253
flat angles P-C4'-P energy: -21.344
tors. eta vs tors. theta energy: -47.378
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: 8, replica: 10
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -363.684007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.684007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.684007 (E_RNA)
where:
Base-Base interactions energy: -223.881
where: short stacking energy: -102.555
Base-Backbone interact. energy: 0.981
local terms energy: -140.783578
where:
bonds (distance) C4'-P energy: -33.936
bonds (distance) P-C4' energy: -36.191
flat angles C4'-P-C4' energy: -40.288
flat angles P-C4'-P energy: -17.629
tors. eta vs tors. theta energy: -12.740
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: 8
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -391.910884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.910884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.910884 (E_RNA)
where:
Base-Base interactions energy: -234.621
where: short stacking energy: -128.588
Base-Backbone interact. energy: -1.329
local terms energy: -155.960471
where:
bonds (distance) C4'-P energy: -47.023
bonds (distance) P-C4' energy: -44.032
flat angles C4'-P-C4' energy: -31.262
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -189.937164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.937164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.937164 (E_RNA)
where:
Base-Base interactions energy: -77.814
where: short stacking energy: -53.939
Base-Backbone interact. energy: 0.349
local terms energy: -112.472004
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -42.910
flat angles C4'-P-C4' energy: -32.920
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: 10.771
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: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -776.059133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.059133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.059133 (E_RNA)
where:
Base-Base interactions energy: -543.280
where: short stacking energy: -215.993
Base-Backbone interact. energy: -2.291
local terms energy: -230.487968
where:
bonds (distance) C4'-P energy: -39.996
bonds (distance) P-C4' energy: -37.389
flat angles C4'-P-C4' energy: -51.516
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -65.498
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: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -741.034964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.034964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.034964 (E_RNA)
where:
Base-Base interactions energy: -498.517
where: short stacking energy: -207.564
Base-Backbone interact. energy: -2.017
local terms energy: -240.500872
where:
bonds (distance) C4'-P energy: -47.428
bonds (distance) P-C4' energy: -46.755
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -34.388
tors. eta vs tors. theta energy: -64.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -703.293557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.293557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.293557 (E_RNA)
where:
Base-Base interactions energy: -481.808
where: short stacking energy: -220.147
Base-Backbone interact. energy: -1.868
local terms energy: -219.617140
where:
bonds (distance) C4'-P energy: -44.367
bonds (distance) P-C4' energy: -48.831
flat angles C4'-P-C4' energy: -38.037
flat angles P-C4'-P energy: -30.519
tors. eta vs tors. theta energy: -57.863
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: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -694.103446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.103446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.103446 (E_RNA)
where:
Base-Base interactions energy: -477.944
where: short stacking energy: -193.510
Base-Backbone interact. energy: -2.390
local terms energy: -213.768708
where:
bonds (distance) C4'-P energy: -35.040
bonds (distance) P-C4' energy: -45.187
flat angles C4'-P-C4' energy: -48.727
flat angles P-C4'-P energy: -32.442
tors. eta vs tors. theta energy: -52.374
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: 1
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -615.187483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.187483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.187483 (E_RNA)
where:
Base-Base interactions energy: -412.880
where: short stacking energy: -194.806
Base-Backbone interact. energy: -1.133
local terms energy: -201.173811
where:
bonds (distance) C4'-P energy: -42.295
bonds (distance) P-C4' energy: -40.651
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -27.941
tors. eta vs tors. theta energy: -50.818
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: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -546.988389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.988389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.988389 (E_RNA)
where:
Base-Base interactions energy: -351.126
where: short stacking energy: -171.435
Base-Backbone interact. energy: -0.918
local terms energy: -194.944130
where:
bonds (distance) C4'-P energy: -42.653
bonds (distance) P-C4' energy: -42.530
flat angles C4'-P-C4' energy: -34.073
flat angles P-C4'-P energy: -25.451
tors. eta vs tors. theta energy: -50.238
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: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -572.807511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.807511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.807511 (E_RNA)
where:
Base-Base interactions energy: -366.839
where: short stacking energy: -161.153
Base-Backbone interact. energy: -1.669
local terms energy: -204.299131
where:
bonds (distance) C4'-P energy: -40.457
bonds (distance) P-C4' energy: -41.133
flat angles C4'-P-C4' energy: -47.484
flat angles P-C4'-P energy: -32.370
tors. eta vs tors. theta energy: -42.856
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: 10
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -364.808952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.808952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.808952 (E_RNA)
where:
Base-Base interactions energy: -220.541
where: short stacking energy: -119.530
Base-Backbone interact. energy: 1.331
local terms energy: -145.599124
where:
bonds (distance) C4'-P energy: -31.127
bonds (distance) P-C4' energy: -43.547
flat angles C4'-P-C4' energy: -30.080
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -26.990
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: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -403.326708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.326708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.326708 (E_RNA)
where:
Base-Base interactions energy: -245.198
where: short stacking energy: -112.515
Base-Backbone interact. energy: 2.664
local terms energy: -160.792848
where:
bonds (distance) C4'-P energy: -29.602
bonds (distance) P-C4' energy: -47.224
flat angles C4'-P-C4' energy: -35.048
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -24.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -194.050520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.050520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.050520 (E_RNA)
where:
Base-Base interactions energy: -81.830
where: short stacking energy: -72.854
Base-Backbone interact. energy: 3.689
local terms energy: -115.909111
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -33.504
flat angles P-C4'-P energy: -25.672
tors. eta vs tors. theta energy: 7.214
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: 229
Temperature: 0.900000
Total energy: -766.653971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.653971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.653971 (E_RNA)
where:
Base-Base interactions energy: -537.088
where: short stacking energy: -208.511
Base-Backbone interact. energy: -1.882
local terms energy: -227.684902
where:
bonds (distance) C4'-P energy: -34.968
bonds (distance) P-C4' energy: -46.638
flat angles C4'-P-C4' energy: -52.439
flat angles P-C4'-P energy: -32.682
tors. eta vs tors. theta energy: -60.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -722.418114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.418114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.418114 (E_RNA)
where:
Base-Base interactions energy: -482.194
where: short stacking energy: -215.422
Base-Backbone interact. energy: -2.051
local terms energy: -238.172307
where:
bonds (distance) C4'-P energy: -45.534
bonds (distance) P-C4' energy: -46.658
flat angles C4'-P-C4' energy: -43.673
flat angles P-C4'-P energy: -36.016
tors. eta vs tors. theta energy: -66.291
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: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -719.428534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.428534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.428534 (E_RNA)
where:
Base-Base interactions energy: -492.094
where: short stacking energy: -204.616
Base-Backbone interact. energy: -1.234
local terms energy: -226.100894
where:
bonds (distance) C4'-P energy: -38.795
bonds (distance) P-C4' energy: -45.730
flat angles C4'-P-C4' energy: -47.786
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -62.977
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: 4, replica: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -694.988050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.988050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.988050 (E_RNA)
where:
Base-Base interactions energy: -484.653
where: short stacking energy: -197.977
Base-Backbone interact. energy: -0.046
local terms energy: -210.288999
where:
bonds (distance) C4'-P energy: -40.985
bonds (distance) P-C4' energy: -41.547
flat angles C4'-P-C4' energy: -43.705
flat angles P-C4'-P energy: -28.274
tors. eta vs tors. theta energy: -55.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -583.557613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.557613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.557613 (E_RNA)
where:
Base-Base interactions energy: -389.677
where: short stacking energy: -177.389
Base-Backbone interact. energy: 0.092
local terms energy: -193.971965
where:
bonds (distance) C4'-P energy: -40.614
bonds (distance) P-C4' energy: -43.250
flat angles C4'-P-C4' energy: -43.192
flat angles P-C4'-P energy: -20.707
tors. eta vs tors. theta energy: -46.210
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: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -591.570902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.570902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.570902 (E_RNA)
where:
Base-Base interactions energy: -385.668
where: short stacking energy: -186.050
Base-Backbone interact. energy: 0.482
local terms energy: -206.384288
where:
bonds (distance) C4'-P energy: -36.088
bonds (distance) P-C4' energy: -42.230
flat angles C4'-P-C4' energy: -41.525
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -56.447
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: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -551.536024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.536024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.536024 (E_RNA)
where:
Base-Base interactions energy: -360.715
where: short stacking energy: -158.904
Base-Backbone interact. energy: -0.055
local terms energy: -190.765913
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -36.464
flat angles C4'-P-C4' energy: -45.728
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -44.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -389.606098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.606098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.606098 (E_RNA)
where:
Base-Base interactions energy: -236.688
where: short stacking energy: -121.092
Base-Backbone interact. energy: 2.831
local terms energy: -155.748901
where:
bonds (distance) C4'-P energy: -32.003
bonds (distance) P-C4' energy: -38.649
flat angles C4'-P-C4' energy: -43.749
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -25.965
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: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -374.672860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.672860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.672860 (E_RNA)
where:
Base-Base interactions energy: -222.016
where: short stacking energy: -124.567
Base-Backbone interact. energy: 0.633
local terms energy: -153.289598
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -35.545
flat angles C4'-P-C4' energy: -39.428
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -24.340
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: 229
Temperature: 1.350000
Total energy: -185.794364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.794364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.794364 (E_RNA)
where:
Base-Base interactions energy: -68.877
where: short stacking energy: -65.069
Base-Backbone interact. energy: 2.113
local terms energy: -119.030430
where:
bonds (distance) C4'-P energy: -38.929
bonds (distance) P-C4' energy: -37.696
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -22.372
tors. eta vs tors. theta energy: 8.292
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: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -769.265952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.265952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.265952 (E_RNA)
where:
Base-Base interactions energy: -530.409
where: short stacking energy: -214.282
Base-Backbone interact. energy: 0.848
local terms energy: -239.704996
where:
bonds (distance) C4'-P energy: -49.807
bonds (distance) P-C4' energy: -47.960
flat angles C4'-P-C4' energy: -48.730
flat angles P-C4'-P energy: -33.607
tors. eta vs tors. theta energy: -59.600
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: 4
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -732.122601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.122601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.122601 (E_RNA)
where:
Base-Base interactions energy: -481.751
where: short stacking energy: -205.863
Base-Backbone interact. energy: -1.656
local terms energy: -248.715675
where:
bonds (distance) C4'-P energy: -41.864
bonds (distance) P-C4' energy: -52.836
flat angles C4'-P-C4' energy: -53.087
flat angles P-C4'-P energy: -35.939
tors. eta vs tors. theta energy: -64.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -706.432210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.432210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.432210 (E_RNA)
where:
Base-Base interactions energy: -486.331
where: short stacking energy: -209.486
Base-Backbone interact. energy: -1.181
local terms energy: -218.920406
where:
bonds (distance) C4'-P energy: -41.149
bonds (distance) P-C4' energy: -42.810
flat angles C4'-P-C4' energy: -46.454
flat angles P-C4'-P energy: -31.216
tors. eta vs tors. theta energy: -57.291
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: 230
Temperature: 1.050000
Total energy: -722.757542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.757542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.757542 (E_RNA)
where:
Base-Base interactions energy: -489.891
where: short stacking energy: -208.258
Base-Backbone interact. energy: -0.613
local terms energy: -232.253587
where:
bonds (distance) C4'-P energy: -40.735
bonds (distance) P-C4' energy: -43.164
flat angles C4'-P-C4' energy: -45.651
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -65.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -585.820067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.820067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.820067 (E_RNA)
where:
Base-Base interactions energy: -375.443
where: short stacking energy: -183.462
Base-Backbone interact. energy: -0.122
local terms energy: -210.255158
where:
bonds (distance) C4'-P energy: -40.418
bonds (distance) P-C4' energy: -41.429
flat angles C4'-P-C4' energy: -44.029
flat angles P-C4'-P energy: -27.787
tors. eta vs tors. theta energy: -56.593
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: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -596.776891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.776891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.776891 (E_RNA)
where:
Base-Base interactions energy: -407.078
where: short stacking energy: -194.665
Base-Backbone interact. energy: -0.397
local terms energy: -189.301965
where:
bonds (distance) C4'-P energy: -36.362
bonds (distance) P-C4' energy: -37.606
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -49.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -511.317631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.317631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.317631 (E_RNA)
where:
Base-Base interactions energy: -336.778
where: short stacking energy: -147.223
Base-Backbone interact. energy: 0.400
local terms energy: -174.939086
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -40.296
flat angles C4'-P-C4' energy: -39.183
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: -34.822
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: 230
Temperature: 1.250000
Total energy: -380.254347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.254347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.254347 (E_RNA)
where:
Base-Base interactions energy: -237.083
where: short stacking energy: -110.603
Base-Backbone interact. energy: 0.738
local terms energy: -143.909321
where:
bonds (distance) C4'-P energy: -42.372
bonds (distance) P-C4' energy: -34.072
flat angles C4'-P-C4' energy: -33.584
flat angles P-C4'-P energy: -23.228
tors. eta vs tors. theta energy: -10.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -319.173271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.173271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.173271 (E_RNA)
where:
Base-Base interactions energy: -181.301
where: short stacking energy: -77.322
Base-Backbone interact. energy: -0.149
local terms energy: -137.722849
where:
bonds (distance) C4'-P energy: -30.231
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -32.787
flat angles P-C4'-P energy: -22.471
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -216.494979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.494979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.494979 (E_RNA)
where:
Base-Base interactions energy: -86.037
where: short stacking energy: -60.064
Base-Backbone interact. energy: -1.350
local terms energy: -129.108790
where:
bonds (distance) C4'-P energy: -43.167
bonds (distance) P-C4' energy: -38.525
flat angles C4'-P-C4' energy: -29.331
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: 1.436
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: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -747.486922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.486922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.486922 (E_RNA)
where:
Base-Base interactions energy: -529.662
where: short stacking energy: -214.071
Base-Backbone interact. energy: -0.190
local terms energy: -217.634195
where:
bonds (distance) C4'-P energy: -41.242
bonds (distance) P-C4' energy: -39.280
flat angles C4'-P-C4' energy: -47.216
flat angles P-C4'-P energy: -29.679
tors. eta vs tors. theta energy: -60.216
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: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -736.551619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.551619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.551619 (E_RNA)
where:
Base-Base interactions energy: -498.361
where: short stacking energy: -220.178
Base-Backbone interact. energy: -0.649
local terms energy: -237.541960
where:
bonds (distance) C4'-P energy: -42.662
bonds (distance) P-C4' energy: -46.831
flat angles C4'-P-C4' energy: -52.507
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: -66.290
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: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -703.121518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.121518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.121518 (E_RNA)
where:
Base-Base interactions energy: -483.098
where: short stacking energy: -212.599
Base-Backbone interact. energy: -4.306
local terms energy: -215.717183
where:
bonds (distance) C4'-P energy: -39.743
bonds (distance) P-C4' energy: -43.580
flat angles C4'-P-C4' energy: -40.838
flat angles P-C4'-P energy: -28.625
tors. eta vs tors. theta energy: -62.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -718.858775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.858775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.858775 (E_RNA)
where:
Base-Base interactions energy: -500.657
where: short stacking energy: -213.530
Base-Backbone interact. energy: 1.269
local terms energy: -219.470632
where:
bonds (distance) C4'-P energy: -41.150
bonds (distance) P-C4' energy: -41.281
flat angles C4'-P-C4' energy: -44.843
flat angles P-C4'-P energy: -30.123
tors. eta vs tors. theta energy: -62.074
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: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -606.895847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.895847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.895847 (E_RNA)
where:
Base-Base interactions energy: -401.977
where: short stacking energy: -172.006
Base-Backbone interact. energy: -0.921
local terms energy: -203.997262
where:
bonds (distance) C4'-P energy: -35.327
bonds (distance) P-C4' energy: -39.610
flat angles C4'-P-C4' energy: -49.764
flat angles P-C4'-P energy: -28.646
tors. eta vs tors. theta energy: -50.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -614.363459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.363459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.363459 (E_RNA)
where:
Base-Base interactions energy: -415.271
where: short stacking energy: -201.350
Base-Backbone interact. energy: -0.303
local terms energy: -198.789441
where:
bonds (distance) C4'-P energy: -35.953
bonds (distance) P-C4' energy: -38.778
flat angles C4'-P-C4' energy: -46.763
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -52.814
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: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -541.428695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.428695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.428695 (E_RNA)
where:
Base-Base interactions energy: -363.224
where: short stacking energy: -163.693
Base-Backbone interact. energy: -0.550
local terms energy: -177.654432
where:
bonds (distance) C4'-P energy: -30.190
bonds (distance) P-C4' energy: -42.222
flat angles C4'-P-C4' energy: -46.620
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -34.412
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: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -356.677013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.677013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.677013 (E_RNA)
where:
Base-Base interactions energy: -215.902
where: short stacking energy: -123.188
Base-Backbone interact. energy: 3.119
local terms energy: -143.894422
where:
bonds (distance) C4'-P energy: -34.777
bonds (distance) P-C4' energy: -27.610
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -28.949
tors. eta vs tors. theta energy: -18.432
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: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -378.237622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.237622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.237622 (E_RNA)
where:
Base-Base interactions energy: -253.281
where: short stacking energy: -122.699
Base-Backbone interact. energy: -0.482
local terms energy: -124.474183
where:
bonds (distance) C4'-P energy: -22.553
bonds (distance) P-C4' energy: -32.865
flat angles C4'-P-C4' energy: -27.232
flat angles P-C4'-P energy: -20.393
tors. eta vs tors. theta energy: -21.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -213.272351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.272351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.272351 (E_RNA)
where:
Base-Base interactions energy: -80.838
where: short stacking energy: -51.744
Base-Backbone interact. energy: 2.944
local terms energy: -135.377918
where:
bonds (distance) C4'-P energy: -39.624
bonds (distance) P-C4' energy: -44.902
flat angles C4'-P-C4' energy: -29.035
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -1.339
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: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -758.217307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.217307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.217307 (E_RNA)
where:
Base-Base interactions energy: -528.518
where: short stacking energy: -210.991
Base-Backbone interact. energy: -2.887
local terms energy: -226.812363
where:
bonds (distance) C4'-P energy: -39.696
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -48.995
flat angles P-C4'-P energy: -35.306
tors. eta vs tors. theta energy: -55.620
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: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -736.773596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.773596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.773596 (E_RNA)
where:
Base-Base interactions energy: -507.660
where: short stacking energy: -223.460
Base-Backbone interact. energy: -2.499
local terms energy: -226.614160
where:
bonds (distance) C4'-P energy: -40.176
bonds (distance) P-C4' energy: -42.250
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -28.248
tors. eta vs tors. theta energy: -63.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -736.569494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.569494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.569494 (E_RNA)
where:
Base-Base interactions energy: -516.001
where: short stacking energy: -215.597
Base-Backbone interact. energy: -0.834
local terms energy: -219.734290
where:
bonds (distance) C4'-P energy: -48.948
bonds (distance) P-C4' energy: -39.121
flat angles C4'-P-C4' energy: -39.492
flat angles P-C4'-P energy: -29.803
tors. eta vs tors. theta energy: -62.371
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: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -691.861203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.861203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.861203 (E_RNA)
where:
Base-Base interactions energy: -480.187
where: short stacking energy: -199.654
Base-Backbone interact. energy: -0.654
local terms energy: -211.020455
where:
bonds (distance) C4'-P energy: -44.793
bonds (distance) P-C4' energy: -38.375
flat angles C4'-P-C4' energy: -38.207
flat angles P-C4'-P energy: -34.508
tors. eta vs tors. theta energy: -55.137
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: 5, replica: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -630.454899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.454899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.454899 (E_RNA)
where:
Base-Base interactions energy: -421.290
where: short stacking energy: -187.246
Base-Backbone interact. energy: -0.676
local terms energy: -208.488462
where:
bonds (distance) C4'-P energy: -41.773
bonds (distance) P-C4' energy: -42.977
flat angles C4'-P-C4' energy: -44.257
flat angles P-C4'-P energy: -30.938
tors. eta vs tors. theta energy: -48.543
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: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -600.163817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.163817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.163817 (E_RNA)
where:
Base-Base interactions energy: -399.566
where: short stacking energy: -192.300
Base-Backbone interact. energy: -0.352
local terms energy: -200.246262
where:
bonds (distance) C4'-P energy: -28.473
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -50.679
flat angles P-C4'-P energy: -31.772
tors. eta vs tors. theta energy: -54.742
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: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -531.711592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.711592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.711592 (E_RNA)
where:
Base-Base interactions energy: -356.115
where: short stacking energy: -150.589
Base-Backbone interact. energy: -1.014
local terms energy: -174.582289
where:
bonds (distance) C4'-P energy: -34.169
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -40.268
flat angles P-C4'-P energy: -36.817
tors. eta vs tors. theta energy: -27.938
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: 232
Temperature: 1.250000
Total energy: -364.807612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.807612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.807612 (E_RNA)
where:
Base-Base interactions energy: -202.392
where: short stacking energy: -114.926
Base-Backbone interact. energy: -0.211
local terms energy: -162.204254
where:
bonds (distance) C4'-P energy: -37.145
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -43.670
flat angles P-C4'-P energy: -19.804
tors. eta vs tors. theta energy: -18.432
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: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -327.500922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.500922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.500922 (E_RNA)
where:
Base-Base interactions energy: -180.680
where: short stacking energy: -100.050
Base-Backbone interact. energy: 0.216
local terms energy: -147.037344
where:
bonds (distance) C4'-P energy: -33.974
bonds (distance) P-C4' energy: -41.832
flat angles C4'-P-C4' energy: -25.445
flat angles P-C4'-P energy: -23.652
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -205.346861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.346861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.346861 (E_RNA)
where:
Base-Base interactions energy: -78.164
where: short stacking energy: -69.664
Base-Backbone interact. energy: -1.117
local terms energy: -126.065208
where:
bonds (distance) C4'-P energy: -39.795
bonds (distance) P-C4' energy: -30.973
flat angles C4'-P-C4' energy: -31.237
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -5.265
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: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -758.653963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.653963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.653963 (E_RNA)
where:
Base-Base interactions energy: -522.127
where: short stacking energy: -208.957
Base-Backbone interact. energy: -0.190
local terms energy: -236.336790
where:
bonds (distance) C4'-P energy: -47.769
bonds (distance) P-C4' energy: -42.204
flat angles C4'-P-C4' energy: -52.360
flat angles P-C4'-P energy: -31.480
tors. eta vs tors. theta energy: -62.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -720.995040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.995040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.995040 (E_RNA)
where:
Base-Base interactions energy: -497.656
where: short stacking energy: -213.359
Base-Backbone interact. energy: -0.699
local terms energy: -222.640617
where:
bonds (distance) C4'-P energy: -42.957
bonds (distance) P-C4' energy: -47.716
flat angles C4'-P-C4' energy: -42.804
flat angles P-C4'-P energy: -33.508
tors. eta vs tors. theta energy: -55.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -732.953358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.953358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.953358 (E_RNA)
where:
Base-Base interactions energy: -513.796
where: short stacking energy: -224.267
Base-Backbone interact. energy: -2.029
local terms energy: -217.128319
where:
bonds (distance) C4'-P energy: -34.083
bonds (distance) P-C4' energy: -40.185
flat angles C4'-P-C4' energy: -43.401
flat angles P-C4'-P energy: -30.798
tors. eta vs tors. theta energy: -68.663
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: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -702.020292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.020292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.020292 (E_RNA)
where:
Base-Base interactions energy: -488.505
where: short stacking energy: -197.405
Base-Backbone interact. energy: -0.260
local terms energy: -213.255453
where:
bonds (distance) C4'-P energy: -45.330
bonds (distance) P-C4' energy: -39.230
flat angles C4'-P-C4' energy: -47.234
flat angles P-C4'-P energy: -28.538
tors. eta vs tors. theta energy: -52.923
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: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -631.716567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.716567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.716567 (E_RNA)
where:
Base-Base interactions energy: -434.125
where: short stacking energy: -192.164
Base-Backbone interact. energy: -1.390
local terms energy: -196.201966
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -39.502
flat angles C4'-P-C4' energy: -47.037
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -49.556
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: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -553.516407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.516407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.516407 (E_RNA)
where:
Base-Base interactions energy: -374.918
where: short stacking energy: -162.826
Base-Backbone interact. energy: -1.189
local terms energy: -177.409451
where:
bonds (distance) C4'-P energy: -41.647
bonds (distance) P-C4' energy: -38.496
flat angles C4'-P-C4' energy: -34.495
flat angles P-C4'-P energy: -25.563
tors. eta vs tors. theta energy: -37.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -545.155729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.155729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.155729 (E_RNA)
where:
Base-Base interactions energy: -372.205
where: short stacking energy: -171.590
Base-Backbone interact. energy: -1.539
local terms energy: -171.411775
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -38.170
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -48.386
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: 10
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -390.636684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.636684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.636684 (E_RNA)
where:
Base-Base interactions energy: -258.995
where: short stacking energy: -139.538
Base-Backbone interact. energy: 1.306
local terms energy: -132.947543
where:
bonds (distance) C4'-P energy: -36.321
bonds (distance) P-C4' energy: -39.525
flat angles C4'-P-C4' energy: -29.137
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -308.234418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.234418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.234418 (E_RNA)
where:
Base-Base interactions energy: -178.653
where: short stacking energy: -88.793
Base-Backbone interact. energy: -0.790
local terms energy: -128.792073
where:
bonds (distance) C4'-P energy: -37.687
bonds (distance) P-C4' energy: -36.056
flat angles C4'-P-C4' energy: -27.543
flat angles P-C4'-P energy: -21.727
tors. eta vs tors. theta energy: -5.779
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: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -196.715596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.715596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.715596 (E_RNA)
where:
Base-Base interactions energy: -87.876
where: short stacking energy: -75.578
Base-Backbone interact. energy: 0.058
local terms energy: -108.897299
where:
bonds (distance) C4'-P energy: -29.226
bonds (distance) P-C4' energy: -47.695
flat angles C4'-P-C4' energy: -25.595
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: 3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -742.229692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.229692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.229692 (E_RNA)
where:
Base-Base interactions energy: -507.442
where: short stacking energy: -205.913
Base-Backbone interact. energy: 2.162
local terms energy: -236.949486
where:
bonds (distance) C4'-P energy: -46.143
bonds (distance) P-C4' energy: -48.475
flat angles C4'-P-C4' energy: -48.947
flat angles P-C4'-P energy: -34.594
tors. eta vs tors. theta energy: -58.791
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: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -747.179571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.179571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.179571 (E_RNA)
where:
Base-Base interactions energy: -507.571
where: short stacking energy: -207.725
Base-Backbone interact. energy: -1.915
local terms energy: -237.693292
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -45.619
flat angles C4'-P-C4' energy: -48.003
flat angles P-C4'-P energy: -35.280
tors. eta vs tors. theta energy: -61.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -714.489889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.489889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.489889 (E_RNA)
where:
Base-Base interactions energy: -501.896
where: short stacking energy: -223.566
Base-Backbone interact. energy: -1.854
local terms energy: -210.740115
where:
bonds (distance) C4'-P energy: -36.641
bonds (distance) P-C4' energy: -46.832
flat angles C4'-P-C4' energy: -45.762
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -57.940
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: 4, replica: 6
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -709.338113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.338113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.338113 (E_RNA)
where:
Base-Base interactions energy: -505.286
where: short stacking energy: -205.450
Base-Backbone interact. energy: -1.250
local terms energy: -202.802423
where:
bonds (distance) C4'-P energy: -33.659
bonds (distance) P-C4' energy: -39.746
flat angles C4'-P-C4' energy: -40.889
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -66.739
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: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -641.605415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.605415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.605415 (E_RNA)
where:
Base-Base interactions energy: -445.742
where: short stacking energy: -202.422
Base-Backbone interact. energy: 0.099
local terms energy: -195.962508
where:
bonds (distance) C4'-P energy: -35.567
bonds (distance) P-C4' energy: -40.120
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -31.737
tors. eta vs tors. theta energy: -55.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -559.902285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.902285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.902285 (E_RNA)
where:
Base-Base interactions energy: -376.904
where: short stacking energy: -169.249
Base-Backbone interact. energy: -1.784
local terms energy: -181.214219
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -35.573
flat angles C4'-P-C4' energy: -48.955
flat angles P-C4'-P energy: -23.947
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: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -518.276669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.276669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.276669 (E_RNA)
where:
Base-Base interactions energy: -338.157
where: short stacking energy: -159.994
Base-Backbone interact. energy: -0.963
local terms energy: -179.156819
where:
bonds (distance) C4'-P energy: -34.030
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -40.509
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -44.231
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: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -373.474199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.474199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.474199 (E_RNA)
where:
Base-Base interactions energy: -221.856
where: short stacking energy: -116.580
Base-Backbone interact. energy: -0.629
local terms energy: -150.989443
where:
bonds (distance) C4'-P energy: -32.362
bonds (distance) P-C4' energy: -33.655
flat angles C4'-P-C4' energy: -38.648
flat angles P-C4'-P energy: -26.375
tors. eta vs tors. theta energy: -19.949
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: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -298.050836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.050836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.050836 (E_RNA)
where:
Base-Base interactions energy: -155.484
where: short stacking energy: -84.575
Base-Backbone interact. energy: -1.604
local terms energy: -140.962969
where:
bonds (distance) C4'-P energy: -34.123
bonds (distance) P-C4' energy: -39.605
flat angles C4'-P-C4' energy: -36.458
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -9.951
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: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -214.893005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.893005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.893005 (E_RNA)
where:
Base-Base interactions energy: -77.564
where: short stacking energy: -67.669
Base-Backbone interact. energy: 0.580
local terms energy: -137.908567
where:
bonds (distance) C4'-P energy: -44.091
bonds (distance) P-C4' energy: -40.596
flat angles C4'-P-C4' energy: -34.059
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -755.210622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.210622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.210622 (E_RNA)
where:
Base-Base interactions energy: -525.540
where: short stacking energy: -206.666
Base-Backbone interact. energy: -1.661
local terms energy: -228.010148
where:
bonds (distance) C4'-P energy: -41.726
bonds (distance) P-C4' energy: -45.310
flat angles C4'-P-C4' energy: -50.964
flat angles P-C4'-P energy: -33.667
tors. eta vs tors. theta energy: -56.344
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: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -744.397441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.397441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.397441 (E_RNA)
where:
Base-Base interactions energy: -520.196
where: short stacking energy: -220.254
Base-Backbone interact. energy: 0.205
local terms energy: -224.406247
where:
bonds (distance) C4'-P energy: -49.364
bonds (distance) P-C4' energy: -36.702
flat angles C4'-P-C4' energy: -46.613
flat angles P-C4'-P energy: -29.979
tors. eta vs tors. theta energy: -61.748
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: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -693.978784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.978784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.978784 (E_RNA)
where:
Base-Base interactions energy: -472.639
where: short stacking energy: -206.241
Base-Backbone interact. energy: -0.549
local terms energy: -220.790836
where:
bonds (distance) C4'-P energy: -42.006
bonds (distance) P-C4' energy: -44.303
flat angles C4'-P-C4' energy: -48.538
flat angles P-C4'-P energy: -31.573
tors. eta vs tors. theta energy: -54.370
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: 6
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -716.647563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.647563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.647563 (E_RNA)
where:
Base-Base interactions energy: -493.549
where: short stacking energy: -206.396
Base-Backbone interact. energy: -1.112
local terms energy: -221.986231
where:
bonds (distance) C4'-P energy: -38.971
bonds (distance) P-C4' energy: -35.937
flat angles C4'-P-C4' energy: -50.797
flat angles P-C4'-P energy: -27.840
tors. eta vs tors. theta energy: -68.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -655.872264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.872264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.872264 (E_RNA)
where:
Base-Base interactions energy: -453.798
where: short stacking energy: -194.184
Base-Backbone interact. energy: -1.265
local terms energy: -200.808708
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -39.957
flat angles C4'-P-C4' energy: -48.631
flat angles P-C4'-P energy: -27.320
tors. eta vs tors. theta energy: -47.097
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: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -556.427478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.427478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.427478 (E_RNA)
where:
Base-Base interactions energy: -355.044
where: short stacking energy: -170.903
Base-Backbone interact. energy: -0.219
local terms energy: -201.164410
where:
bonds (distance) C4'-P energy: -38.978
bonds (distance) P-C4' energy: -37.298
flat angles C4'-P-C4' energy: -43.661
flat angles P-C4'-P energy: -29.293
tors. eta vs tors. theta energy: -51.934
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: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -511.859339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.859339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.859339 (E_RNA)
where:
Base-Base interactions energy: -334.053
where: short stacking energy: -144.991
Base-Backbone interact. energy: -1.101
local terms energy: -176.705419
where:
bonds (distance) C4'-P energy: -38.245
bonds (distance) P-C4' energy: -37.309
flat angles C4'-P-C4' energy: -36.931
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -40.009
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: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -395.348702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.348702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.348702 (E_RNA)
where:
Base-Base interactions energy: -241.130
where: short stacking energy: -127.416
Base-Backbone interact. energy: -1.170
local terms energy: -153.049270
where:
bonds (distance) C4'-P energy: -38.403
bonds (distance) P-C4' energy: -40.587
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -17.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -281.779317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.779317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.779317 (E_RNA)
where:
Base-Base interactions energy: -139.408
where: short stacking energy: -76.965
Base-Backbone interact. energy: -0.125
local terms energy: -142.246959
where:
bonds (distance) C4'-P energy: -35.082
bonds (distance) P-C4' energy: -39.373
flat angles C4'-P-C4' energy: -36.863
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -215.013847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.013847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.013847 (E_RNA)
where:
Base-Base interactions energy: -92.648
where: short stacking energy: -51.559
Base-Backbone interact. energy: -1.010
local terms energy: -121.354933
where:
bonds (distance) C4'-P energy: -32.677
bonds (distance) P-C4' energy: -33.957
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -2.791
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: 1, replica: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -754.799741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.799741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.799741 (E_RNA)
where:
Base-Base interactions energy: -509.917
where: short stacking energy: -222.622
Base-Backbone interact. energy: -1.117
local terms energy: -243.765604
where:
bonds (distance) C4'-P energy: -52.545
bonds (distance) P-C4' energy: -39.759
flat angles C4'-P-C4' energy: -51.833
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -66.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -733.813093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.813093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.813093 (E_RNA)
where:
Base-Base interactions energy: -507.492
where: short stacking energy: -220.323
Base-Backbone interact. energy: 0.369
local terms energy: -226.690481
where:
bonds (distance) C4'-P energy: -40.530
bonds (distance) P-C4' energy: -46.627
flat angles C4'-P-C4' energy: -50.495
flat angles P-C4'-P energy: -29.840
tors. eta vs tors. theta energy: -59.198
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: 236
Temperature: 1.000000
Total energy: -694.597740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.597740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.597740 (E_RNA)
where:
Base-Base interactions energy: -472.668
where: short stacking energy: -200.490
Base-Backbone interact. energy: -2.043
local terms energy: -219.886760
where:
bonds (distance) C4'-P energy: -45.906
bonds (distance) P-C4' energy: -41.472
flat angles C4'-P-C4' energy: -38.095
flat angles P-C4'-P energy: -28.930
tors. eta vs tors. theta energy: -65.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -700.021591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.021591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.021591 (E_RNA)
where:
Base-Base interactions energy: -473.248
where: short stacking energy: -202.148
Base-Backbone interact. energy: -1.736
local terms energy: -225.037805
where:
bonds (distance) C4'-P energy: -45.398
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -44.260
flat angles P-C4'-P energy: -41.724
tors. eta vs tors. theta energy: -57.238
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: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -662.391360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.391360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.391360 (E_RNA)
where:
Base-Base interactions energy: -452.831
where: short stacking energy: -204.702
Base-Backbone interact. energy: -1.486
local terms energy: -208.074532
where:
bonds (distance) C4'-P energy: -38.369
bonds (distance) P-C4' energy: -32.408
flat angles C4'-P-C4' energy: -44.506
flat angles P-C4'-P energy: -28.917
tors. eta vs tors. theta energy: -63.874
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: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -537.668111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.668111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.668111 (E_RNA)
where:
Base-Base interactions energy: -343.473
where: short stacking energy: -153.114
Base-Backbone interact. energy: -0.415
local terms energy: -193.780423
where:
bonds (distance) C4'-P energy: -40.859
bonds (distance) P-C4' energy: -41.901
flat angles C4'-P-C4' energy: -46.461
flat angles P-C4'-P energy: -25.951
tors. eta vs tors. theta energy: -38.608
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: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -406.281542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.281542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.281542 (E_RNA)
where:
Base-Base interactions energy: -241.501
where: short stacking energy: -130.293
Base-Backbone interact. energy: 0.618
local terms energy: -165.397845
where:
bonds (distance) C4'-P energy: -41.493
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -32.438
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -25.564
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: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -505.274722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.274722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.274722 (E_RNA)
where:
Base-Base interactions energy: -327.335
where: short stacking energy: -142.944
Base-Backbone interact. energy: -0.376
local terms energy: -177.563571
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -39.470
flat angles C4'-P-C4' energy: -41.274
flat angles P-C4'-P energy: -30.631
tors. eta vs tors. theta energy: -28.356
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: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -310.887173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.887173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.887173 (E_RNA)
where:
Base-Base interactions energy: -152.372
where: short stacking energy: -65.239
Base-Backbone interact. energy: -0.677
local terms energy: -157.838086
where:
bonds (distance) C4'-P energy: -36.850
bonds (distance) P-C4' energy: -41.974
flat angles C4'-P-C4' energy: -42.697
flat angles P-C4'-P energy: -27.585
tors. eta vs tors. theta energy: -8.732
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: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -210.692189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.692189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.692189 (E_RNA)
where:
Base-Base interactions energy: -89.783
where: short stacking energy: -58.015
Base-Backbone interact. energy: 1.026
local terms energy: -121.934779
where:
bonds (distance) C4'-P energy: -40.680
bonds (distance) P-C4' energy: -24.869
flat angles C4'-P-C4' energy: -32.043
flat angles P-C4'-P energy: -23.776
tors. eta vs tors. theta energy: -0.567
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: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -768.120126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.120126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.120126 (E_RNA)
where:
Base-Base interactions energy: -515.537
where: short stacking energy: -213.326
Base-Backbone interact. energy: -0.945
local terms energy: -251.638024
where:
bonds (distance) C4'-P energy: -46.520
bonds (distance) P-C4' energy: -48.700
flat angles C4'-P-C4' energy: -53.024
flat angles P-C4'-P energy: -36.411
tors. eta vs tors. theta energy: -66.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -705.102666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.102666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.102666 (E_RNA)
where:
Base-Base interactions energy: -488.606
where: short stacking energy: -204.154
Base-Backbone interact. energy: -0.863
local terms energy: -215.633802
where:
bonds (distance) C4'-P energy: -43.350
bonds (distance) P-C4' energy: -48.376
flat angles C4'-P-C4' energy: -44.109
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -51.725
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: 237
Temperature: 1.000000
Total energy: -718.751187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.751187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.751187 (E_RNA)
where:
Base-Base interactions energy: -494.221
where: short stacking energy: -213.976
Base-Backbone interact. energy: -1.162
local terms energy: -223.367651
where:
bonds (distance) C4'-P energy: -37.344
bonds (distance) P-C4' energy: -46.106
flat angles C4'-P-C4' energy: -47.831
flat angles P-C4'-P energy: -28.140
tors. eta vs tors. theta energy: -63.948
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: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -680.738847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.738847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.738847 (E_RNA)
where:
Base-Base interactions energy: -460.382
where: short stacking energy: -211.882
Base-Backbone interact. energy: -1.122
local terms energy: -219.234143
where:
bonds (distance) C4'-P energy: -37.739
bonds (distance) P-C4' energy: -43.338
flat angles C4'-P-C4' energy: -50.299
flat angles P-C4'-P energy: -31.736
tors. eta vs tors. theta energy: -56.123
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: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -669.003992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.003992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.003992 (E_RNA)
where:
Base-Base interactions energy: -460.802
where: short stacking energy: -200.474
Base-Backbone interact. energy: 0.733
local terms energy: -208.934908
where:
bonds (distance) C4'-P energy: -41.281
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -41.590
flat angles P-C4'-P energy: -27.379
tors. eta vs tors. theta energy: -58.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -543.320395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.320395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.320395 (E_RNA)
where:
Base-Base interactions energy: -359.572
where: short stacking energy: -161.183
Base-Backbone interact. energy: -0.036
local terms energy: -183.712298
where:
bonds (distance) C4'-P energy: -33.502
bonds (distance) P-C4' energy: -42.451
flat angles C4'-P-C4' energy: -44.564
flat angles P-C4'-P energy: -21.227
tors. eta vs tors. theta energy: -41.968
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: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -459.213019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.213019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.213019 (E_RNA)
where:
Base-Base interactions energy: -294.953
where: short stacking energy: -146.126
Base-Backbone interact. energy: -0.135
local terms energy: -164.124882
where:
bonds (distance) C4'-P energy: -36.892
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -46.230
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -33.031
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: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -490.559094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.559094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.559094 (E_RNA)
where:
Base-Base interactions energy: -320.059
where: short stacking energy: -144.667
Base-Backbone interact. energy: -0.472
local terms energy: -170.028194
where:
bonds (distance) C4'-P energy: -33.480
bonds (distance) P-C4' energy: -35.375
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -27.109
tors. eta vs tors. theta energy: -32.987
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: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -331.617193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.617193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.617193 (E_RNA)
where:
Base-Base interactions energy: -189.045
where: short stacking energy: -92.468
Base-Backbone interact. energy: 1.915
local terms energy: -144.486350
where:
bonds (distance) C4'-P energy: -34.998
bonds (distance) P-C4' energy: -39.970
flat angles C4'-P-C4' energy: -31.850
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -202.922536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.922536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.922536 (E_RNA)
where:
Base-Base interactions energy: -68.222
where: short stacking energy: -61.477
Base-Backbone interact. energy: -0.252
local terms energy: -134.448132
where:
bonds (distance) C4'-P energy: -42.597
bonds (distance) P-C4' energy: -36.462
flat angles C4'-P-C4' energy: -36.801
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: 2.786
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: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -726.325545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.325545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.325545 (E_RNA)
where:
Base-Base interactions energy: -485.258
where: short stacking energy: -213.928
Base-Backbone interact. energy: -1.340
local terms energy: -239.728031
where:
bonds (distance) C4'-P energy: -48.989
bonds (distance) P-C4' energy: -44.817
flat angles C4'-P-C4' energy: -47.829
flat angles P-C4'-P energy: -33.814
tors. eta vs tors. theta energy: -64.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -742.502400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.502400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.502400 (E_RNA)
where:
Base-Base interactions energy: -503.647
where: short stacking energy: -211.509
Base-Backbone interact. energy: -0.560
local terms energy: -238.295429
where:
bonds (distance) C4'-P energy: -40.030
bonds (distance) P-C4' energy: -44.292
flat angles C4'-P-C4' energy: -50.315
flat angles P-C4'-P energy: -39.481
tors. eta vs tors. theta energy: -64.178
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: 6
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -723.565588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.565588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.565588 (E_RNA)
where:
Base-Base interactions energy: -498.939
where: short stacking energy: -215.297
Base-Backbone interact. energy: -2.491
local terms energy: -222.135141
where:
bonds (distance) C4'-P energy: -46.098
bonds (distance) P-C4' energy: -35.094
flat angles C4'-P-C4' energy: -42.629
flat angles P-C4'-P energy: -35.234
tors. eta vs tors. theta energy: -63.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -678.583877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.583877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.583877 (E_RNA)
where:
Base-Base interactions energy: -466.700
where: short stacking energy: -216.904
Base-Backbone interact. energy: -1.161
local terms energy: -210.723288
where:
bonds (distance) C4'-P energy: -34.328
bonds (distance) P-C4' energy: -39.785
flat angles C4'-P-C4' energy: -48.025
flat angles P-C4'-P energy: -22.712
tors. eta vs tors. theta energy: -65.873
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: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -678.415099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.415099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.415099 (E_RNA)
where:
Base-Base interactions energy: -464.085
where: short stacking energy: -203.042
Base-Backbone interact. energy: -1.060
local terms energy: -213.270349
where:
bonds (distance) C4'-P energy: -34.213
bonds (distance) P-C4' energy: -44.941
flat angles C4'-P-C4' energy: -52.937
flat angles P-C4'-P energy: -27.184
tors. eta vs tors. theta energy: -53.995
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: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -556.470254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.470254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.470254 (E_RNA)
where:
Base-Base interactions energy: -352.541
where: short stacking energy: -162.146
Base-Backbone interact. energy: -1.881
local terms energy: -202.048959
where:
bonds (distance) C4'-P energy: -36.226
bonds (distance) P-C4' energy: -35.998
flat angles C4'-P-C4' energy: -43.903
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -54.193
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: 7
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -562.376479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.376479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.376479 (E_RNA)
where:
Base-Base interactions energy: -374.940
where: short stacking energy: -177.885
Base-Backbone interact. energy: 2.241
local terms energy: -189.677278
where:
bonds (distance) C4'-P energy: -39.579
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -42.052
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: -45.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -442.851206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.851206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.851206 (E_RNA)
where:
Base-Base interactions energy: -287.893
where: short stacking energy: -149.001
Base-Backbone interact. energy: -0.746
local terms energy: -154.211997
where:
bonds (distance) C4'-P energy: -36.772
bonds (distance) P-C4' energy: -42.440
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -32.435
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: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -219.800468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.800468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.800468 (E_RNA)
where:
Base-Base interactions energy: -93.717
where: short stacking energy: -71.593
Base-Backbone interact. energy: 0.019
local terms energy: -126.103092
where:
bonds (distance) C4'-P energy: -29.133
bonds (distance) P-C4' energy: -45.853
flat angles C4'-P-C4' energy: -32.860
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -6.282
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: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -274.192297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.192297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.192297 (E_RNA)
where:
Base-Base interactions energy: -160.838
where: short stacking energy: -75.830
Base-Backbone interact. energy: 2.936
local terms energy: -116.290077
where:
bonds (distance) C4'-P energy: -25.863
bonds (distance) P-C4' energy: -38.185
flat angles C4'-P-C4' energy: -31.343
flat angles P-C4'-P energy: -24.687
tors. eta vs tors. theta energy: 3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -720.638941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.638941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.638941 (E_RNA)
where:
Base-Base interactions energy: -492.972
where: short stacking energy: -206.996
Base-Backbone interact. energy: -0.894
local terms energy: -226.772581
where:
bonds (distance) C4'-P energy: -46.182
bonds (distance) P-C4' energy: -40.555
flat angles C4'-P-C4' energy: -45.139
flat angles P-C4'-P energy: -37.352
tors. eta vs tors. theta energy: -57.544
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: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -738.984163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.984163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.984163 (E_RNA)
where:
Base-Base interactions energy: -506.767
where: short stacking energy: -222.208
Base-Backbone interact. energy: -0.276
local terms energy: -231.941850
where:
bonds (distance) C4'-P energy: -37.116
bonds (distance) P-C4' energy: -51.093
flat angles C4'-P-C4' energy: -49.990
flat angles P-C4'-P energy: -31.104
tors. eta vs tors. theta energy: -62.639
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: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -728.185136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.185136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.185136 (E_RNA)
where:
Base-Base interactions energy: -507.376
where: short stacking energy: -222.502
Base-Backbone interact. energy: -0.763
local terms energy: -220.046158
where:
bonds (distance) C4'-P energy: -37.797
bonds (distance) P-C4' energy: -44.263
flat angles C4'-P-C4' energy: -47.522
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -64.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -706.265575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.265575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.265575 (E_RNA)
where:
Base-Base interactions energy: -486.936
where: short stacking energy: -221.286
Base-Backbone interact. energy: -1.623
local terms energy: -217.706786
where:
bonds (distance) C4'-P energy: -33.529
bonds (distance) P-C4' energy: -43.272
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -34.539
tors. eta vs tors. theta energy: -57.143
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: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -664.211464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.211464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.211464 (E_RNA)
where:
Base-Base interactions energy: -461.524
where: short stacking energy: -222.028
Base-Backbone interact. energy: 0.158
local terms energy: -202.844877
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -41.773
flat angles P-C4'-P energy: -31.883
tors. eta vs tors. theta energy: -61.212
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: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -543.235747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.235747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.235747 (E_RNA)
where:
Base-Base interactions energy: -369.487
where: short stacking energy: -173.526
Base-Backbone interact. energy: -1.059
local terms energy: -172.690438
where:
bonds (distance) C4'-P energy: -32.186
bonds (distance) P-C4' energy: -33.511
flat angles C4'-P-C4' energy: -40.741
flat angles P-C4'-P energy: -26.190
tors. eta vs tors. theta energy: -40.063
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: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -507.494398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.494398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.494398 (E_RNA)
where:
Base-Base interactions energy: -329.998
where: short stacking energy: -137.943
Base-Backbone interact. energy: 0.591
local terms energy: -178.087755
where:
bonds (distance) C4'-P energy: -31.290
bonds (distance) P-C4' energy: -35.441
flat angles C4'-P-C4' energy: -43.473
flat angles P-C4'-P energy: -28.514
tors. eta vs tors. theta energy: -39.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -417.790148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.790148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.790148 (E_RNA)
where:
Base-Base interactions energy: -263.772
where: short stacking energy: -127.974
Base-Backbone interact. energy: -0.588
local terms energy: -153.430103
where:
bonds (distance) C4'-P energy: -38.438
bonds (distance) P-C4' energy: -40.723
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -30.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -202.467692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.467692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.467692 (E_RNA)
where:
Base-Base interactions energy: -63.869
where: short stacking energy: -61.806
Base-Backbone interact. energy: -0.997
local terms energy: -137.601284
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -45.283
flat angles C4'-P-C4' energy: -41.852
flat angles P-C4'-P energy: -16.423
tors. eta vs tors. theta energy: 1.648
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: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -261.486143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.486143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.486143 (E_RNA)
where:
Base-Base interactions energy: -129.572
where: short stacking energy: -63.251
Base-Backbone interact. energy: -0.685
local terms energy: -131.229013
where:
bonds (distance) C4'-P energy: -37.535
bonds (distance) P-C4' energy: -33.343
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -27.289
tors. eta vs tors. theta energy: -2.406
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: 1, replica: 5
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -755.741188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.741188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.741188 (E_RNA)
where:
Base-Base interactions energy: -527.548
where: short stacking energy: -220.192
Base-Backbone interact. energy: -0.096
local terms energy: -228.097418
where:
bonds (distance) C4'-P energy: -44.447
bonds (distance) P-C4' energy: -44.858
flat angles C4'-P-C4' energy: -48.418
flat angles P-C4'-P energy: -29.364
tors. eta vs tors. theta energy: -61.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -722.135336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.135336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.135336 (E_RNA)
where:
Base-Base interactions energy: -504.812
where: short stacking energy: -198.518
Base-Backbone interact. energy: -0.918
local terms energy: -216.405385
where:
bonds (distance) C4'-P energy: -46.001
bonds (distance) P-C4' energy: -37.067
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -33.561
tors. eta vs tors. theta energy: -49.586
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: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -709.295681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.295681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.295681 (E_RNA)
where:
Base-Base interactions energy: -494.368
where: short stacking energy: -216.689
Base-Backbone interact. energy: -0.824
local terms energy: -214.102966
where:
bonds (distance) C4'-P energy: -33.882
bonds (distance) P-C4' energy: -41.764
flat angles C4'-P-C4' energy: -41.434
flat angles P-C4'-P energy: -34.198
tors. eta vs tors. theta energy: -62.825
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: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -687.099009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.099009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.099009 (E_RNA)
where:
Base-Base interactions energy: -468.378
where: short stacking energy: -192.795
Base-Backbone interact. energy: -0.940
local terms energy: -217.780340
where:
bonds (distance) C4'-P energy: -42.390
bonds (distance) P-C4' energy: -46.320
flat angles C4'-P-C4' energy: -43.724
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: -50.700
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: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -666.922790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.922790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.922790 (E_RNA)
where:
Base-Base interactions energy: -451.351
where: short stacking energy: -205.031
Base-Backbone interact. energy: -0.397
local terms energy: -215.174680
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -42.901
flat angles C4'-P-C4' energy: -48.627
flat angles P-C4'-P energy: -25.627
tors. eta vs tors. theta energy: -57.999
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: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -565.990630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.990630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.990630 (E_RNA)
where:
Base-Base interactions energy: -366.751
where: short stacking energy: -163.972
Base-Backbone interact. energy: -0.445
local terms energy: -198.794775
where:
bonds (distance) C4'-P energy: -41.613
bonds (distance) P-C4' energy: -42.767
flat angles C4'-P-C4' energy: -35.239
flat angles P-C4'-P energy: -30.762
tors. eta vs tors. theta energy: -48.413
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: 10
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -408.457338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.457338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.457338 (E_RNA)
where:
Base-Base interactions energy: -249.726
where: short stacking energy: -135.771
Base-Backbone interact. energy: -0.990
local terms energy: -157.741094
where:
bonds (distance) C4'-P energy: -34.552
bonds (distance) P-C4' energy: -36.143
flat angles C4'-P-C4' energy: -42.693
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -29.928
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: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -500.112736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.112736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.112736 (E_RNA)
where:
Base-Base interactions energy: -339.475
where: short stacking energy: -158.878
Base-Backbone interact. energy: -0.743
local terms energy: -159.894958
where:
bonds (distance) C4'-P energy: -26.825
bonds (distance) P-C4' energy: -29.739
flat angles C4'-P-C4' energy: -47.154
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -28.685
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: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -308.827795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.827795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.827795 (E_RNA)
where:
Base-Base interactions energy: -158.014
where: short stacking energy: -95.525
Base-Backbone interact. energy: -0.646
local terms energy: -150.167522
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -35.655
flat angles C4'-P-C4' energy: -42.332
flat angles P-C4'-P energy: -26.767
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -200.558343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.558343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.558343 (E_RNA)
where:
Base-Base interactions energy: -80.765
where: short stacking energy: -68.602
Base-Backbone interact. energy: 5.984
local terms energy: -125.778076
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -39.410
flat angles C4'-P-C4' energy: -32.086
flat angles P-C4'-P energy: -22.098
tors. eta vs tors. theta energy: 7.119
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: 5
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -758.886566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.886566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.886566 (E_RNA)
where:
Base-Base interactions energy: -531.824
where: short stacking energy: -218.852
Base-Backbone interact. energy: -0.185
local terms energy: -226.877871
where:
bonds (distance) C4'-P energy: -36.229
bonds (distance) P-C4' energy: -47.650
flat angles C4'-P-C4' energy: -51.398
flat angles P-C4'-P energy: -26.745
tors. eta vs tors. theta energy: -64.856
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: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -747.246517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.246517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.246517 (E_RNA)
where:
Base-Base interactions energy: -517.861
where: short stacking energy: -227.572
Base-Backbone interact. energy: -1.365
local terms energy: -228.020835
where:
bonds (distance) C4'-P energy: -42.365
bonds (distance) P-C4' energy: -43.674
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -35.547
tors. eta vs tors. theta energy: -67.207
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: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -700.346385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.346385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.346385 (E_RNA)
where:
Base-Base interactions energy: -487.879
where: short stacking energy: -208.223
Base-Backbone interact. energy: -0.430
local terms energy: -212.037172
where:
bonds (distance) C4'-P energy: -41.576
bonds (distance) P-C4' energy: -35.163
flat angles C4'-P-C4' energy: -45.398
flat angles P-C4'-P energy: -35.010
tors. eta vs tors. theta energy: -54.890
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: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -676.805557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.805557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.805557 (E_RNA)
where:
Base-Base interactions energy: -468.207
where: short stacking energy: -198.587
Base-Backbone interact. energy: -1.330
local terms energy: -207.267626
where:
bonds (distance) C4'-P energy: -40.221
bonds (distance) P-C4' energy: -37.678
flat angles C4'-P-C4' energy: -42.828
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -52.519
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: 1
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -661.438858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.438858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.438858 (E_RNA)
where:
Base-Base interactions energy: -438.111
where: short stacking energy: -196.448
Base-Backbone interact. energy: -1.840
local terms energy: -221.487911
where:
bonds (distance) C4'-P energy: -36.403
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -45.447
flat angles P-C4'-P energy: -32.851
tors. eta vs tors. theta energy: -62.923
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: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -568.357435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.357435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.357435 (E_RNA)
where:
Base-Base interactions energy: -374.337
where: short stacking energy: -148.906
Base-Backbone interact. energy: -1.556
local terms energy: -192.464576
where:
bonds (distance) C4'-P energy: -38.580
bonds (distance) P-C4' energy: -41.810
flat angles C4'-P-C4' energy: -40.493
flat angles P-C4'-P energy: -34.629
tors. eta vs tors. theta energy: -36.952
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: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -430.076441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.076441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.076441 (E_RNA)
where:
Base-Base interactions energy: -270.415
where: short stacking energy: -114.658
Base-Backbone interact. energy: -0.446
local terms energy: -159.215441
where:
bonds (distance) C4'-P energy: -34.790
bonds (distance) P-C4' energy: -34.112
flat angles C4'-P-C4' energy: -34.039
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -24.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -484.832896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.832896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.832896 (E_RNA)
where:
Base-Base interactions energy: -323.013
where: short stacking energy: -141.723
Base-Backbone interact. energy: 0.472
local terms energy: -162.291881
where:
bonds (distance) C4'-P energy: -27.773
bonds (distance) P-C4' energy: -29.772
flat angles C4'-P-C4' energy: -38.678
flat angles P-C4'-P energy: -26.600
tors. eta vs tors. theta energy: -39.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -309.626727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.626727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.626727 (E_RNA)
where:
Base-Base interactions energy: -168.166
where: short stacking energy: -85.427
Base-Backbone interact. energy: 0.871
local terms energy: -142.331220
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -31.405
flat angles C4'-P-C4' energy: -35.056
flat angles P-C4'-P energy: -23.619
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -199.235319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.235319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.235319 (E_RNA)
where:
Base-Base interactions energy: -68.127
where: short stacking energy: -57.530
Base-Backbone interact. energy: 2.362
local terms energy: -133.470956
where:
bonds (distance) C4'-P energy: -34.217
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -4.349
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: 1, replica: 5
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -767.192778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.192778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.192778 (E_RNA)
where:
Base-Base interactions energy: -532.054
where: short stacking energy: -235.895
Base-Backbone interact. energy: -0.860
local terms energy: -234.278110
where:
bonds (distance) C4'-P energy: -45.400
bonds (distance) P-C4' energy: -46.276
flat angles C4'-P-C4' energy: -44.618
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -63.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -742.924570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.924570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.924570 (E_RNA)
where:
Base-Base interactions energy: -511.130
where: short stacking energy: -212.410
Base-Backbone interact. energy: -0.985
local terms energy: -230.809799
where:
bonds (distance) C4'-P energy: -41.908
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -47.261
flat angles P-C4'-P energy: -34.867
tors. eta vs tors. theta energy: -64.795
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: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -702.068263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.068263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.068263 (E_RNA)
where:
Base-Base interactions energy: -481.784
where: short stacking energy: -210.075
Base-Backbone interact. energy: -0.823
local terms energy: -219.461409
where:
bonds (distance) C4'-P energy: -40.402
bonds (distance) P-C4' energy: -44.130
flat angles C4'-P-C4' energy: -40.604
flat angles P-C4'-P energy: -29.594
tors. eta vs tors. theta energy: -64.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -673.854211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.854211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.854211 (E_RNA)
where:
Base-Base interactions energy: -469.202
where: short stacking energy: -201.711
Base-Backbone interact. energy: -2.320
local terms energy: -202.332224
where:
bonds (distance) C4'-P energy: -38.581
bonds (distance) P-C4' energy: -31.782
flat angles C4'-P-C4' energy: -45.575
flat angles P-C4'-P energy: -39.335
tors. eta vs tors. theta energy: -47.059
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: 1
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -654.419397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.419397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.419397 (E_RNA)
where:
Base-Base interactions energy: -449.141
where: short stacking energy: -199.755
Base-Backbone interact. energy: -1.269
local terms energy: -204.008980
where:
bonds (distance) C4'-P energy: -29.440
bonds (distance) P-C4' energy: -42.738
flat angles C4'-P-C4' energy: -46.054
flat angles P-C4'-P energy: -28.208
tors. eta vs tors. theta energy: -57.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -584.572688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.572688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.572688 (E_RNA)
where:
Base-Base interactions energy: -392.815
where: short stacking energy: -177.286
Base-Backbone interact. energy: -1.647
local terms energy: -190.111346
where:
bonds (distance) C4'-P energy: -33.249
bonds (distance) P-C4' energy: -34.611
flat angles C4'-P-C4' energy: -43.112
flat angles P-C4'-P energy: -31.052
tors. eta vs tors. theta energy: -48.087
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: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -447.693603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.693603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.693603 (E_RNA)
where:
Base-Base interactions energy: -280.778
where: short stacking energy: -140.650
Base-Backbone interact. energy: -0.434
local terms energy: -166.481862
where:
bonds (distance) C4'-P energy: -39.849
bonds (distance) P-C4' energy: -35.649
flat angles C4'-P-C4' energy: -39.416
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -34.774
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: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -432.280838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.280838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.280838 (E_RNA)
where:
Base-Base interactions energy: -264.176
where: short stacking energy: -128.161
Base-Backbone interact. energy: -0.696
local terms energy: -167.408354
where:
bonds (distance) C4'-P energy: -29.852
bonds (distance) P-C4' energy: -43.302
flat angles C4'-P-C4' energy: -38.749
flat angles P-C4'-P energy: -26.384
tors. eta vs tors. theta energy: -29.121
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: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -313.156612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.156612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.156612 (E_RNA)
where:
Base-Base interactions energy: -185.767
where: short stacking energy: -93.595
Base-Backbone interact. energy: 0.063
local terms energy: -127.451863
where:
bonds (distance) C4'-P energy: -39.034
bonds (distance) P-C4' energy: -28.583
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -22.513
tors. eta vs tors. theta energy: -3.595
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: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -192.804606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.804606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.804606 (E_RNA)
where:
Base-Base interactions energy: -69.292
where: short stacking energy: -39.207
Base-Backbone interact. energy: 1.226
local terms energy: -124.738818
where:
bonds (distance) C4'-P energy: -41.162
bonds (distance) P-C4' energy: -45.738
flat angles C4'-P-C4' energy: -28.367
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: 10.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -749.413085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.413085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.413085 (E_RNA)
where:
Base-Base interactions energy: -506.095
where: short stacking energy: -210.060
Base-Backbone interact. energy: -0.264
local terms energy: -243.053858
where:
bonds (distance) C4'-P energy: -47.947
bonds (distance) P-C4' energy: -44.455
flat angles C4'-P-C4' energy: -53.596
flat angles P-C4'-P energy: -35.367
tors. eta vs tors. theta energy: -61.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -717.759585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.759585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.759585 (E_RNA)
where:
Base-Base interactions energy: -486.110
where: short stacking energy: -221.665
Base-Backbone interact. energy: -0.248
local terms energy: -231.401454
where:
bonds (distance) C4'-P energy: -45.123
bonds (distance) P-C4' energy: -41.218
flat angles C4'-P-C4' energy: -51.561
flat angles P-C4'-P energy: -30.598
tors. eta vs tors. theta energy: -62.901
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: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -716.871585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.871585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.871585 (E_RNA)
where:
Base-Base interactions energy: -496.451
where: short stacking energy: -222.595
Base-Backbone interact. energy: 0.198
local terms energy: -220.619517
where:
bonds (distance) C4'-P energy: -42.911
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -38.056
flat angles P-C4'-P energy: -34.710
tors. eta vs tors. theta energy: -64.683
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: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -702.559351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.559351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.559351 (E_RNA)
where:
Base-Base interactions energy: -489.964
where: short stacking energy: -201.341
Base-Backbone interact. energy: 0.366
local terms energy: -212.961964
where:
bonds (distance) C4'-P energy: -40.831
bonds (distance) P-C4' energy: -31.502
flat angles C4'-P-C4' energy: -49.810
flat angles P-C4'-P energy: -35.747
tors. eta vs tors. theta energy: -55.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -644.450784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.450784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.450784 (E_RNA)
where:
Base-Base interactions energy: -426.830
where: short stacking energy: -185.975
Base-Backbone interact. energy: 0.142
local terms energy: -217.763519
where:
bonds (distance) C4'-P energy: -44.823
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -44.821
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -62.121
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: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -556.469110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.469110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.469110 (E_RNA)
where:
Base-Base interactions energy: -364.272
where: short stacking energy: -143.674
Base-Backbone interact. energy: -0.807
local terms energy: -191.390260
where:
bonds (distance) C4'-P energy: -37.725
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -45.179
flat angles P-C4'-P energy: -26.109
tors. eta vs tors. theta energy: -39.543
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: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -447.842464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.842464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.842464 (E_RNA)
where:
Base-Base interactions energy: -276.622
where: short stacking energy: -131.688
Base-Backbone interact. energy: -1.668
local terms energy: -169.552593
where:
bonds (distance) C4'-P energy: -38.715
bonds (distance) P-C4' energy: -31.990
flat angles C4'-P-C4' energy: -42.793
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -26.225
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: 8, replica: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -409.270909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.270909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.270909 (E_RNA)
where:
Base-Base interactions energy: -240.953
where: short stacking energy: -108.946
Base-Backbone interact. energy: -1.802
local terms energy: -166.515836
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -35.840
flat angles C4'-P-C4' energy: -45.660
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -18.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -334.792302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.792302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.792302 (E_RNA)
where:
Base-Base interactions energy: -189.868
where: short stacking energy: -97.471
Base-Backbone interact. energy: 2.040
local terms energy: -146.964548
where:
bonds (distance) C4'-P energy: -38.778
bonds (distance) P-C4' energy: -36.771
flat angles C4'-P-C4' energy: -32.891
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -20.108
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: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -183.430522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.430522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.430522 (E_RNA)
where:
Base-Base interactions energy: -62.125
where: short stacking energy: -49.079
Base-Backbone interact. energy: -2.398
local terms energy: -118.907512
where:
bonds (distance) C4'-P energy: -34.839
bonds (distance) P-C4' energy: -39.317
flat angles C4'-P-C4' energy: -27.991
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: 6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -767.038512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.038512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.038512 (E_RNA)
where:
Base-Base interactions energy: -526.117
where: short stacking energy: -227.731
Base-Backbone interact. energy: -0.523
local terms energy: -240.398313
where:
bonds (distance) C4'-P energy: -46.255
bonds (distance) P-C4' energy: -46.496
flat angles C4'-P-C4' energy: -55.258
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -66.070
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: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -711.273003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.273003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.273003 (E_RNA)
where:
Base-Base interactions energy: -481.479
where: short stacking energy: -205.159
Base-Backbone interact. energy: -0.915
local terms energy: -228.878527
where:
bonds (distance) C4'-P energy: -41.573
bonds (distance) P-C4' energy: -49.752
flat angles C4'-P-C4' energy: -41.969
flat angles P-C4'-P energy: -34.872
tors. eta vs tors. theta energy: -60.713
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: 3, replica: 6
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -717.132475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.132475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.132475 (E_RNA)
where:
Base-Base interactions energy: -511.570
where: short stacking energy: -208.136
Base-Backbone interact. energy: -1.170
local terms energy: -204.392891
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -45.719
flat angles C4'-P-C4' energy: -41.641
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -63.393
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: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -682.946885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.946885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.946885 (E_RNA)
where:
Base-Base interactions energy: -472.731
where: short stacking energy: -203.370
Base-Backbone interact. energy: 1.887
local terms energy: -212.103474
where:
bonds (distance) C4'-P energy: -39.020
bonds (distance) P-C4' energy: -43.130
flat angles C4'-P-C4' energy: -46.576
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -53.583
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: 1
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -648.427924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.427924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.427924 (E_RNA)
where:
Base-Base interactions energy: -447.709
where: short stacking energy: -197.485
Base-Backbone interact. energy: -0.835
local terms energy: -199.883667
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -41.795
flat angles C4'-P-C4' energy: -37.821
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -59.981
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: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -554.057495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.057495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.057495 (E_RNA)
where:
Base-Base interactions energy: -377.394
where: short stacking energy: -170.046
Base-Backbone interact. energy: 0.707
local terms energy: -177.370426
where:
bonds (distance) C4'-P energy: -39.133
bonds (distance) P-C4' energy: -31.531
flat angles C4'-P-C4' energy: -38.949
flat angles P-C4'-P energy: -26.827
tors. eta vs tors. theta energy: -40.930
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: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -468.128406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.128406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.128406 (E_RNA)
where:
Base-Base interactions energy: -304.851
where: short stacking energy: -163.226
Base-Backbone interact. energy: -0.594
local terms energy: -162.684044
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -40.996
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -38.477
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: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -427.219446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.219446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.219446 (E_RNA)
where:
Base-Base interactions energy: -269.160
where: short stacking energy: -133.641
Base-Backbone interact. energy: 1.114
local terms energy: -159.173808
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -34.378
flat angles C4'-P-C4' energy: -43.617
flat angles P-C4'-P energy: -19.676
tors. eta vs tors. theta energy: -30.566
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: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -388.378934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.378934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.378934 (E_RNA)
where:
Base-Base interactions energy: -239.194
where: short stacking energy: -108.420
Base-Backbone interact. energy: -1.151
local terms energy: -148.034035
where:
bonds (distance) C4'-P energy: -26.431
bonds (distance) P-C4' energy: -29.833
flat angles C4'-P-C4' energy: -39.687
flat angles P-C4'-P energy: -29.788
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: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -199.042054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.042054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.042054 (E_RNA)
where:
Base-Base interactions energy: -85.523
where: short stacking energy: -77.569
Base-Backbone interact. energy: 0.800
local terms energy: -114.319417
where:
bonds (distance) C4'-P energy: -30.609
bonds (distance) P-C4' energy: -33.522
flat angles C4'-P-C4' energy: -30.769
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -3.581
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: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -751.421917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.421917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.421917 (E_RNA)
where:
Base-Base interactions energy: -521.989
where: short stacking energy: -225.821
Base-Backbone interact. energy: -0.425
local terms energy: -229.008238
where:
bonds (distance) C4'-P energy: -40.833
bonds (distance) P-C4' energy: -37.923
flat angles C4'-P-C4' energy: -50.945
flat angles P-C4'-P energy: -32.257
tors. eta vs tors. theta energy: -67.051
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: 2
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -724.204764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.204764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.204764 (E_RNA)
where:
Base-Base interactions energy: -489.384
where: short stacking energy: -214.272
Base-Backbone interact. energy: -0.086
local terms energy: -234.734081
where:
bonds (distance) C4'-P energy: -48.266
bonds (distance) P-C4' energy: -42.863
flat angles C4'-P-C4' energy: -48.010
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: -61.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -720.083308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.083308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.083308 (E_RNA)
where:
Base-Base interactions energy: -506.250
where: short stacking energy: -217.699
Base-Backbone interact. energy: -2.317
local terms energy: -211.515707
where:
bonds (distance) C4'-P energy: -37.286
bonds (distance) P-C4' energy: -39.910
flat angles C4'-P-C4' energy: -42.567
flat angles P-C4'-P energy: -31.385
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: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -694.734556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.734556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.734556 (E_RNA)
where:
Base-Base interactions energy: -483.704
where: short stacking energy: -218.083
Base-Backbone interact. energy: -1.859
local terms energy: -209.171642
where:
bonds (distance) C4'-P energy: -35.146
bonds (distance) P-C4' energy: -38.037
flat angles C4'-P-C4' energy: -49.755
flat angles P-C4'-P energy: -27.076
tors. eta vs tors. theta energy: -59.159
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: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -671.156453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.156453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.156453 (E_RNA)
where:
Base-Base interactions energy: -466.899
where: short stacking energy: -204.116
Base-Backbone interact. energy: 2.729
local terms energy: -206.986712
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -36.025
flat angles C4'-P-C4' energy: -48.188
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -54.499
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: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -555.090761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.090761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.090761 (E_RNA)
where:
Base-Base interactions energy: -375.640
where: short stacking energy: -168.930
Base-Backbone interact. energy: -0.988
local terms energy: -178.463046
where:
bonds (distance) C4'-P energy: -37.972
bonds (distance) P-C4' energy: -36.686
flat angles C4'-P-C4' energy: -38.718
flat angles P-C4'-P energy: -27.313
tors. eta vs tors. theta energy: -37.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -461.439455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.439455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.439455 (E_RNA)
where:
Base-Base interactions energy: -280.176
where: short stacking energy: -149.943
Base-Backbone interact. energy: 1.854
local terms energy: -183.117440
where:
bonds (distance) C4'-P energy: -33.084
bonds (distance) P-C4' energy: -39.379
flat angles C4'-P-C4' energy: -40.493
flat angles P-C4'-P energy: -31.941
tors. eta vs tors. theta energy: -38.221
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -353.621581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.621581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.621581 (E_RNA)
where:
Base-Base interactions energy: -215.008
where: short stacking energy: -101.168
Base-Backbone interact. energy: -0.790
local terms energy: -137.823224
where:
bonds (distance) C4'-P energy: -31.079
bonds (distance) P-C4' energy: -34.223
flat angles C4'-P-C4' energy: -37.589
flat angles P-C4'-P energy: -23.862
tors. eta vs tors. theta energy: -11.071
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: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -406.457921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.457921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.457921 (E_RNA)
where:
Base-Base interactions energy: -245.683
where: short stacking energy: -118.187
Base-Backbone interact. energy: -0.814
local terms energy: -159.960445
where:
bonds (distance) C4'-P energy: -35.612
bonds (distance) P-C4' energy: -36.936
flat angles C4'-P-C4' energy: -38.425
flat angles P-C4'-P energy: -31.668
tors. eta vs tors. theta energy: -17.320
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: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -194.861022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.861022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.861022 (E_RNA)
where:
Base-Base interactions energy: -74.831
where: short stacking energy: -61.571
Base-Backbone interact. energy: -1.829
local terms energy: -118.200778
where:
bonds (distance) C4'-P energy: -30.622
bonds (distance) P-C4' energy: -39.945
flat angles C4'-P-C4' energy: -28.187
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: 0.595
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: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -764.705510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.705510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.705510 (E_RNA)
where:
Base-Base interactions energy: -540.732
where: short stacking energy: -233.055
Base-Backbone interact. energy: -0.563
local terms energy: -223.410905
where:
bonds (distance) C4'-P energy: -28.498
bonds (distance) P-C4' energy: -42.425
flat angles C4'-P-C4' energy: -51.551
flat angles P-C4'-P energy: -34.918
tors. eta vs tors. theta energy: -66.019
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: 2
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -721.925448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.925448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.925448 (E_RNA)
where:
Base-Base interactions energy: -500.546
where: short stacking energy: -221.265
Base-Backbone interact. energy: 2.371
local terms energy: -223.749827
where:
bonds (distance) C4'-P energy: -37.225
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -48.721
flat angles P-C4'-P energy: -32.887
tors. eta vs tors. theta energy: -62.242
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: 6
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -726.673172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.673172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.673172 (E_RNA)
where:
Base-Base interactions energy: -498.849
where: short stacking energy: -206.219
Base-Backbone interact. energy: -0.727
local terms energy: -227.097012
where:
bonds (distance) C4'-P energy: -36.601
bonds (distance) P-C4' energy: -39.485
flat angles C4'-P-C4' energy: -46.235
flat angles P-C4'-P energy: -37.008
tors. eta vs tors. theta energy: -67.768
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: 4, replica: 1
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -666.844687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.844687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.844687 (E_RNA)
where:
Base-Base interactions energy: -441.318
where: short stacking energy: -196.661
Base-Backbone interact. energy: -1.260
local terms energy: -224.266911
where:
bonds (distance) C4'-P energy: -44.075
bonds (distance) P-C4' energy: -51.568
flat angles C4'-P-C4' energy: -47.613
flat angles P-C4'-P energy: -25.849
tors. eta vs tors. theta energy: -55.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -638.870032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.870032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.870032 (E_RNA)
where:
Base-Base interactions energy: -430.016
where: short stacking energy: -193.871
Base-Backbone interact. energy: 0.333
local terms energy: -209.186661
where:
bonds (distance) C4'-P energy: -35.997
bonds (distance) P-C4' energy: -43.941
flat angles C4'-P-C4' energy: -42.405
flat angles P-C4'-P energy: -35.511
tors. eta vs tors. theta energy: -51.332
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: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -538.197014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.197014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.197014 (E_RNA)
where:
Base-Base interactions energy: -356.465
where: short stacking energy: -160.494
Base-Backbone interact. energy: -0.808
local terms energy: -180.923557
where:
bonds (distance) C4'-P energy: -34.805
bonds (distance) P-C4' energy: -39.902
flat angles C4'-P-C4' energy: -43.914
flat angles P-C4'-P energy: -29.713
tors. eta vs tors. theta energy: -32.590
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: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -479.579658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.579658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.579658 (E_RNA)
where:
Base-Base interactions energy: -308.501
where: short stacking energy: -134.788
Base-Backbone interact. energy: -1.146
local terms energy: -169.933100
where:
bonds (distance) C4'-P energy: -47.193
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -40.286
flat angles P-C4'-P energy: -24.812
tors. eta vs tors. theta energy: -25.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -347.466394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.466394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.466394 (E_RNA)
where:
Base-Base interactions energy: -201.797
where: short stacking energy: -95.376
Base-Backbone interact. energy: -0.780
local terms energy: -144.889086
where:
bonds (distance) C4'-P energy: -36.223
bonds (distance) P-C4' energy: -37.648
flat angles C4'-P-C4' energy: -26.919
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -431.016118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.016118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.016118 (E_RNA)
where:
Base-Base interactions energy: -286.895
where: short stacking energy: -128.182
Base-Backbone interact. energy: 0.920
local terms energy: -145.041658
where:
bonds (distance) C4'-P energy: -31.587
bonds (distance) P-C4' energy: -34.450
flat angles C4'-P-C4' energy: -36.344
flat angles P-C4'-P energy: -19.088
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -206.519369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.519369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.519369 (E_RNA)
where:
Base-Base interactions energy: -73.189
where: short stacking energy: -71.888
Base-Backbone interact. energy: -0.429
local terms energy: -132.902151
where:
bonds (distance) C4'-P energy: -44.700
bonds (distance) P-C4' energy: -42.492
flat angles C4'-P-C4' energy: -24.871
flat angles P-C4'-P energy: -20.149
tors. eta vs tors. theta energy: -0.690
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: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -764.789119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.789119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.789119 (E_RNA)
where:
Base-Base interactions energy: -526.560
where: short stacking energy: -227.405
Base-Backbone interact. energy: -0.297
local terms energy: -237.931469
where:
bonds (distance) C4'-P energy: -39.344
bonds (distance) P-C4' energy: -47.815
flat angles C4'-P-C4' energy: -51.422
flat angles P-C4'-P energy: -33.197
tors. eta vs tors. theta energy: -66.153
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: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -740.432181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.432181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.432181 (E_RNA)
where:
Base-Base interactions energy: -520.984
where: short stacking energy: -228.438
Base-Backbone interact. energy: -2.138
local terms energy: -217.310505
where:
bonds (distance) C4'-P energy: -43.866
bonds (distance) P-C4' energy: -32.126
flat angles C4'-P-C4' energy: -45.206
flat angles P-C4'-P energy: -28.879
tors. eta vs tors. theta energy: -67.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -705.340301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.340301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.340301 (E_RNA)
where:
Base-Base interactions energy: -486.352
where: short stacking energy: -203.110
Base-Backbone interact. energy: -1.171
local terms energy: -217.817662
where:
bonds (distance) C4'-P energy: -38.661
bonds (distance) P-C4' energy: -40.704
flat angles C4'-P-C4' energy: -44.791
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: -62.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -673.533391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.533391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.533391 (E_RNA)
where:
Base-Base interactions energy: -447.523
where: short stacking energy: -204.959
Base-Backbone interact. energy: -1.898
local terms energy: -224.112017
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -43.908
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -37.009
tors. eta vs tors. theta energy: -60.739
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: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -666.235945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.235945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.235945 (E_RNA)
where:
Base-Base interactions energy: -442.772
where: short stacking energy: -214.119
Base-Backbone interact. energy: -0.715
local terms energy: -222.748551
where:
bonds (distance) C4'-P energy: -41.434
bonds (distance) P-C4' energy: -30.441
flat angles C4'-P-C4' energy: -50.009
flat angles P-C4'-P energy: -33.684
tors. eta vs tors. theta energy: -67.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -561.490875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.490875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.490875 (E_RNA)
where:
Base-Base interactions energy: -363.786
where: short stacking energy: -168.080
Base-Backbone interact. energy: -0.161
local terms energy: -197.543778
where:
bonds (distance) C4'-P energy: -36.034
bonds (distance) P-C4' energy: -38.193
flat angles C4'-P-C4' energy: -47.250
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -50.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -449.724967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.724967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.724967 (E_RNA)
where:
Base-Base interactions energy: -287.965
where: short stacking energy: -133.313
Base-Backbone interact. energy: -1.185
local terms energy: -160.574232
where:
bonds (distance) C4'-P energy: -31.700
bonds (distance) P-C4' energy: -30.107
flat angles C4'-P-C4' energy: -45.407
flat angles P-C4'-P energy: -18.540
tors. eta vs tors. theta energy: -34.820
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: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -426.003845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.003845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.003845 (E_RNA)
where:
Base-Base interactions energy: -253.819
where: short stacking energy: -120.085
Base-Backbone interact. energy: -0.935
local terms energy: -171.249965
where:
bonds (distance) C4'-P energy: -37.643
bonds (distance) P-C4' energy: -39.411
flat angles C4'-P-C4' energy: -45.228
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -26.870
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: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -335.836015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.836015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.836015 (E_RNA)
where:
Base-Base interactions energy: -184.510
where: short stacking energy: -98.671
Base-Backbone interact. energy: 1.204
local terms energy: -152.529529
where:
bonds (distance) C4'-P energy: -40.278
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -30.864
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -200.739579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.739579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.739579 (E_RNA)
where:
Base-Base interactions energy: -76.827
where: short stacking energy: -60.601
Base-Backbone interact. energy: -0.505
local terms energy: -123.407809
where:
bonds (distance) C4'-P energy: -32.475
bonds (distance) P-C4' energy: -36.026
flat angles C4'-P-C4' energy: -39.551
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -775.045125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.045125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.045125 (E_RNA)
where:
Base-Base interactions energy: -532.702
where: short stacking energy: -223.599
Base-Backbone interact. energy: -1.203
local terms energy: -241.140017
where:
bonds (distance) C4'-P energy: -43.334
bonds (distance) P-C4' energy: -49.773
flat angles C4'-P-C4' energy: -50.226
flat angles P-C4'-P energy: -33.475
tors. eta vs tors. theta energy: -64.331
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: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -733.980768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.980768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.980768 (E_RNA)
where:
Base-Base interactions energy: -499.444
where: short stacking energy: -219.260
Base-Backbone interact. energy: 0.316
local terms energy: -234.852797
where:
bonds (distance) C4'-P energy: -38.855
bonds (distance) P-C4' energy: -44.918
flat angles C4'-P-C4' energy: -48.824
flat angles P-C4'-P energy: -33.576
tors. eta vs tors. theta energy: -68.680
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: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -732.061439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.061439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.061439 (E_RNA)
where:
Base-Base interactions energy: -503.885
where: short stacking energy: -206.483
Base-Backbone interact. energy: -0.061
local terms energy: -228.114906
where:
bonds (distance) C4'-P energy: -43.880
bonds (distance) P-C4' energy: -42.226
flat angles C4'-P-C4' energy: -51.730
flat angles P-C4'-P energy: -30.049
tors. eta vs tors. theta energy: -60.231
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: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -649.620918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.620918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.620918 (E_RNA)
where:
Base-Base interactions energy: -439.217
where: short stacking energy: -204.284
Base-Backbone interact. energy: 0.269
local terms energy: -210.673333
where:
bonds (distance) C4'-P energy: -41.994
bonds (distance) P-C4' energy: -40.795
flat angles C4'-P-C4' energy: -42.456
flat angles P-C4'-P energy: -27.851
tors. eta vs tors. theta energy: -57.577
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: 1
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -638.873244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.873244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.873244 (E_RNA)
where:
Base-Base interactions energy: -426.079
where: short stacking energy: -182.006
Base-Backbone interact. energy: -1.738
local terms energy: -211.055788
where:
bonds (distance) C4'-P energy: -41.691
bonds (distance) P-C4' energy: -42.699
flat angles C4'-P-C4' energy: -44.719
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -53.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -561.992609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.992609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.992609 (E_RNA)
where:
Base-Base interactions energy: -376.942
where: short stacking energy: -184.399
Base-Backbone interact. energy: -0.220
local terms energy: -184.829820
where:
bonds (distance) C4'-P energy: -41.184
bonds (distance) P-C4' energy: -39.635
flat angles C4'-P-C4' energy: -38.757
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -42.061
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: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -427.336006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.336006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.336006 (E_RNA)
where:
Base-Base interactions energy: -263.933
where: short stacking energy: -124.669
Base-Backbone interact. energy: -0.794
local terms energy: -162.609242
where:
bonds (distance) C4'-P energy: -33.929
bonds (distance) P-C4' energy: -43.680
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -399.896016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.896016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.896016 (E_RNA)
where:
Base-Base interactions energy: -255.725
where: short stacking energy: -125.364
Base-Backbone interact. energy: -0.604
local terms energy: -143.567317
where:
bonds (distance) C4'-P energy: -41.931
bonds (distance) P-C4' energy: -37.288
flat angles C4'-P-C4' energy: -31.338
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -19.028
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: 9, replica: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -354.559857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.559857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.559857 (E_RNA)
where:
Base-Base interactions energy: -196.202
where: short stacking energy: -96.598
Base-Backbone interact. energy: 3.456
local terms energy: -161.813604
where:
bonds (distance) C4'-P energy: -37.857
bonds (distance) P-C4' energy: -35.037
flat angles C4'-P-C4' energy: -37.017
flat angles P-C4'-P energy: -32.552
tors. eta vs tors. theta energy: -19.350
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: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -202.405738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.405738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.405738 (E_RNA)
where:
Base-Base interactions energy: -75.088
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.856
local terms energy: -126.461586
where:
bonds (distance) C4'-P energy: -31.981
bonds (distance) P-C4' energy: -41.244
flat angles C4'-P-C4' energy: -33.840
flat angles P-C4'-P energy: -20.469
tors. eta vs tors. theta energy: 1.073
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: 1, replica: 6
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -754.023974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.023974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.023974 (E_RNA)
where:
Base-Base interactions energy: -522.360
where: short stacking energy: -227.807
Base-Backbone interact. energy: -1.023
local terms energy: -230.640931
where:
bonds (distance) C4'-P energy: -45.084
bonds (distance) P-C4' energy: -49.451
flat angles C4'-P-C4' energy: -40.945
flat angles P-C4'-P energy: -26.168
tors. eta vs tors. theta energy: -68.992
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: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -746.586537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.586537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.586537 (E_RNA)
where:
Base-Base interactions energy: -524.267
where: short stacking energy: -222.241
Base-Backbone interact. energy: -0.725
local terms energy: -221.594363
where:
bonds (distance) C4'-P energy: -42.128
bonds (distance) P-C4' energy: -33.721
flat angles C4'-P-C4' energy: -47.119
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -67.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -717.976966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.976966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.976966 (E_RNA)
where:
Base-Base interactions energy: -496.001
where: short stacking energy: -227.408
Base-Backbone interact. energy: -0.753
local terms energy: -221.222650
where:
bonds (distance) C4'-P energy: -40.625
bonds (distance) P-C4' energy: -33.892
flat angles C4'-P-C4' energy: -45.701
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: -62.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -652.610958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.610958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.610958 (E_RNA)
where:
Base-Base interactions energy: -435.253
where: short stacking energy: -188.574
Base-Backbone interact. energy: -0.607
local terms energy: -216.751134
where:
bonds (distance) C4'-P energy: -41.844
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -49.483
flat angles P-C4'-P energy: -26.162
tors. eta vs tors. theta energy: -54.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -631.271508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.271508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.271508 (E_RNA)
where:
Base-Base interactions energy: -425.647
where: short stacking energy: -183.670
Base-Backbone interact. energy: -1.160
local terms energy: -204.464286
where:
bonds (distance) C4'-P energy: -43.291
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -48.229
flat angles P-C4'-P energy: -20.835
tors. eta vs tors. theta energy: -53.040
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: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -560.061562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.061562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.061562 (E_RNA)
where:
Base-Base interactions energy: -370.534
where: short stacking energy: -175.674
Base-Backbone interact. energy: 0.202
local terms energy: -189.730019
where:
bonds (distance) C4'-P energy: -33.742
bonds (distance) P-C4' energy: -41.103
flat angles C4'-P-C4' energy: -39.570
flat angles P-C4'-P energy: -27.012
tors. eta vs tors. theta energy: -48.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -398.798217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.798217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.798217 (E_RNA)
where:
Base-Base interactions energy: -234.289
where: short stacking energy: -114.075
Base-Backbone interact. energy: -1.246
local terms energy: -163.262988
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -39.151
flat angles C4'-P-C4' energy: -38.841
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -27.168
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: 8, replica: 10
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -383.773311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.773311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.773311 (E_RNA)
where:
Base-Base interactions energy: -234.506
where: short stacking energy: -117.570
Base-Backbone interact. energy: 0.115
local terms energy: -149.382417
where:
bonds (distance) C4'-P energy: -35.894
bonds (distance) P-C4' energy: -35.011
flat angles C4'-P-C4' energy: -38.115
flat angles P-C4'-P energy: -23.066
tors. eta vs tors. theta energy: -17.297
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: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -398.858179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.858179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.858179 (E_RNA)
where:
Base-Base interactions energy: -243.254
where: short stacking energy: -116.672
Base-Backbone interact. energy: -1.297
local terms energy: -154.306562
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -42.854
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -23.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -256.475589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.475589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.475589 (E_RNA)
where:
Base-Base interactions energy: -134.224
where: short stacking energy: -82.132
Base-Backbone interact. energy: 1.721
local terms energy: -123.972511
where:
bonds (distance) C4'-P energy: -39.356
bonds (distance) P-C4' energy: -33.380
flat angles C4'-P-C4' energy: -30.163
flat angles P-C4'-P energy: -21.170
tors. eta vs tors. theta energy: 0.095
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: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -749.435135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.435135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.435135 (E_RNA)
where:
Base-Base interactions energy: -523.297
where: short stacking energy: -234.378
Base-Backbone interact. energy: -1.372
local terms energy: -224.766426
where:
bonds (distance) C4'-P energy: -38.293
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -47.106
flat angles P-C4'-P energy: -28.491
tors. eta vs tors. theta energy: -62.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -744.719842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.719842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.719842 (E_RNA)
where:
Base-Base interactions energy: -509.701
where: short stacking energy: -224.599
Base-Backbone interact. energy: -1.415
local terms energy: -233.603737
where:
bonds (distance) C4'-P energy: -35.904
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -52.411
flat angles P-C4'-P energy: -37.503
tors. eta vs tors. theta energy: -69.075
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: 5
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -726.376332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.376332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.376332 (E_RNA)
where:
Base-Base interactions energy: -489.559
where: short stacking energy: -229.962
Base-Backbone interact. energy: -0.361
local terms energy: -236.456570
where:
bonds (distance) C4'-P energy: -40.908
bonds (distance) P-C4' energy: -44.570
flat angles C4'-P-C4' energy: -49.763
flat angles P-C4'-P energy: -38.400
tors. eta vs tors. theta energy: -62.816
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: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -682.746575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.746575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.746575 (E_RNA)
where:
Base-Base interactions energy: -479.140
where: short stacking energy: -204.996
Base-Backbone interact. energy: -0.034
local terms energy: -203.572245
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -33.321
flat angles C4'-P-C4' energy: -52.808
flat angles P-C4'-P energy: -33.702
tors. eta vs tors. theta energy: -51.163
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: 1
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -646.187238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.187238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.187238 (E_RNA)
where:
Base-Base interactions energy: -439.625
where: short stacking energy: -202.947
Base-Backbone interact. energy: -0.209
local terms energy: -206.353559
where:
bonds (distance) C4'-P energy: -37.975
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -43.746
flat angles P-C4'-P energy: -34.226
tors. eta vs tors. theta energy: -53.463
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: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -571.445006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.445006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.445006 (E_RNA)
where:
Base-Base interactions energy: -375.300
where: short stacking energy: -179.171
Base-Backbone interact. energy: -1.724
local terms energy: -194.420793
where:
bonds (distance) C4'-P energy: -33.237
bonds (distance) P-C4' energy: -41.327
flat angles C4'-P-C4' energy: -41.191
flat angles P-C4'-P energy: -32.578
tors. eta vs tors. theta energy: -46.087
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: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -438.276052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.276052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.276052 (E_RNA)
where:
Base-Base interactions energy: -257.546
where: short stacking energy: -141.712
Base-Backbone interact. energy: -0.604
local terms energy: -180.125868
where:
bonds (distance) C4'-P energy: -30.943
bonds (distance) P-C4' energy: -45.796
flat angles C4'-P-C4' energy: -41.135
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -31.366
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: 8, replica: 3
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -396.719720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.719720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.719720 (E_RNA)
where:
Base-Base interactions energy: -234.344
where: short stacking energy: -101.783
Base-Backbone interact. energy: 2.079
local terms energy: -164.454732
where:
bonds (distance) C4'-P energy: -44.714
bonds (distance) P-C4' energy: -42.403
flat angles C4'-P-C4' energy: -36.789
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -21.586
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: 8
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -405.627290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.627290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.627290 (E_RNA)
where:
Base-Base interactions energy: -249.855
where: short stacking energy: -124.903
Base-Backbone interact. energy: -2.341
local terms energy: -153.430928
where:
bonds (distance) C4'-P energy: -43.035
bonds (distance) P-C4' energy: -31.342
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -29.945
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: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -203.881024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.881024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.881024 (E_RNA)
where:
Base-Base interactions energy: -83.277
where: short stacking energy: -72.431
Base-Backbone interact. energy: -0.745
local terms energy: -119.858807
where:
bonds (distance) C4'-P energy: -27.391
bonds (distance) P-C4' energy: -42.865
flat angles C4'-P-C4' energy: -25.098
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: -4.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -762.225066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.225066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.225066 (E_RNA)
where:
Base-Base interactions energy: -538.145
where: short stacking energy: -231.553
Base-Backbone interact. energy: -0.476
local terms energy: -223.604150
where:
bonds (distance) C4'-P energy: -40.178
bonds (distance) P-C4' energy: -44.088
flat angles C4'-P-C4' energy: -49.750
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -66.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -753.850259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.850259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.850259 (E_RNA)
where:
Base-Base interactions energy: -517.011
where: short stacking energy: -223.516
Base-Backbone interact. energy: -0.182
local terms energy: -236.656542
where:
bonds (distance) C4'-P energy: -45.624
bonds (distance) P-C4' energy: -48.003
flat angles C4'-P-C4' energy: -50.866
flat angles P-C4'-P energy: -23.148
tors. eta vs tors. theta energy: -69.016
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: 5
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -732.471741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.471741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.471741 (E_RNA)
where:
Base-Base interactions energy: -488.985
where: short stacking energy: -225.643
Base-Backbone interact. energy: -0.657
local terms energy: -242.829751
where:
bonds (distance) C4'-P energy: -41.415
bonds (distance) P-C4' energy: -48.251
flat angles C4'-P-C4' energy: -48.610
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -67.523
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: 1
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -687.353349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.353349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.353349 (E_RNA)
where:
Base-Base interactions energy: -470.247
where: short stacking energy: -209.741
Base-Backbone interact. energy: -1.488
local terms energy: -215.618526
where:
bonds (distance) C4'-P energy: -38.788
bonds (distance) P-C4' energy: -42.457
flat angles C4'-P-C4' energy: -41.492
flat angles P-C4'-P energy: -29.839
tors. eta vs tors. theta energy: -63.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -682.695268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.695268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.695268 (E_RNA)
where:
Base-Base interactions energy: -477.816
where: short stacking energy: -207.012
Base-Backbone interact. energy: 0.953
local terms energy: -205.832181
where:
bonds (distance) C4'-P energy: -37.822
bonds (distance) P-C4' energy: -29.428
flat angles C4'-P-C4' energy: -48.009
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -52.236
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: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -533.721475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.721475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.721475 (E_RNA)
where:
Base-Base interactions energy: -345.460
where: short stacking energy: -148.108
Base-Backbone interact. energy: -0.652
local terms energy: -187.610097
where:
bonds (distance) C4'-P energy: -45.814
bonds (distance) P-C4' energy: -47.427
flat angles C4'-P-C4' energy: -33.176
flat angles P-C4'-P energy: -26.950
tors. eta vs tors. theta energy: -34.243
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: 10
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -447.079930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.079930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.079930 (E_RNA)
where:
Base-Base interactions energy: -279.715
where: short stacking energy: -142.113
Base-Backbone interact. energy: -0.800
local terms energy: -166.565208
where:
bonds (distance) C4'-P energy: -36.100
bonds (distance) P-C4' energy: -29.671
flat angles C4'-P-C4' energy: -40.954
flat angles P-C4'-P energy: -21.630
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: 8, replica: 8
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -439.992012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.992012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.992012 (E_RNA)
where:
Base-Base interactions energy: -271.211
where: short stacking energy: -157.935
Base-Backbone interact. energy: -0.143
local terms energy: -168.638066
where:
bonds (distance) C4'-P energy: -38.254
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -32.653
flat angles P-C4'-P energy: -26.151
tors. eta vs tors. theta energy: -39.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -385.115837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.115837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.115837 (E_RNA)
where:
Base-Base interactions energy: -221.372
where: short stacking energy: -124.630
Base-Backbone interact. energy: -0.698
local terms energy: -163.046775
where:
bonds (distance) C4'-P energy: -37.182
bonds (distance) P-C4' energy: -33.507
flat angles C4'-P-C4' energy: -43.879
flat angles P-C4'-P energy: -25.617
tors. eta vs tors. theta energy: -22.860
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: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -204.345619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.345619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.345619 (E_RNA)
where:
Base-Base interactions energy: -78.235
where: short stacking energy: -61.662
Base-Backbone interact. energy: -1.060
local terms energy: -125.050282
where:
bonds (distance) C4'-P energy: -34.867
bonds (distance) P-C4' energy: -42.767
flat angles C4'-P-C4' energy: -32.797
flat angles P-C4'-P energy: -20.592
tors. eta vs tors. theta energy: 5.972
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: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -758.736882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.736882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.736882 (E_RNA)
where:
Base-Base interactions energy: -512.251
where: short stacking energy: -228.460
Base-Backbone interact. energy: -0.190
local terms energy: -246.296061
where:
bonds (distance) C4'-P energy: -47.301
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -45.828
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: -67.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -756.351080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.351080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.351080 (E_RNA)
where:
Base-Base interactions energy: -527.603
where: short stacking energy: -224.769
Base-Backbone interact. energy: -0.225
local terms energy: -228.523167
where:
bonds (distance) C4'-P energy: -46.564
bonds (distance) P-C4' energy: -43.039
flat angles C4'-P-C4' energy: -50.760
flat angles P-C4'-P energy: -25.440
tors. eta vs tors. theta energy: -62.720
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: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -716.781959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.781959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.781959 (E_RNA)
where:
Base-Base interactions energy: -485.380
where: short stacking energy: -212.299
Base-Backbone interact. energy: 0.358
local terms energy: -231.759381
where:
bonds (distance) C4'-P energy: -46.572
bonds (distance) P-C4' energy: -46.232
flat angles C4'-P-C4' energy: -44.864
flat angles P-C4'-P energy: -33.613
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: 4, replica: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -700.162287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.162287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.162287 (E_RNA)
where:
Base-Base interactions energy: -467.674
where: short stacking energy: -213.078
Base-Backbone interact. energy: -1.429
local terms energy: -231.059325
where:
bonds (distance) C4'-P energy: -40.128
bonds (distance) P-C4' energy: -46.254
flat angles C4'-P-C4' energy: -47.299
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -64.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -663.602779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.602779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.602779 (E_RNA)
where:
Base-Base interactions energy: -466.425
where: short stacking energy: -193.133
Base-Backbone interact. energy: -0.969
local terms energy: -196.207922
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -42.900
flat angles C4'-P-C4' energy: -35.338
flat angles P-C4'-P energy: -32.341
tors. eta vs tors. theta energy: -44.859
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: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -541.728444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.728444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.728444 (E_RNA)
where:
Base-Base interactions energy: -364.684
where: short stacking energy: -161.328
Base-Backbone interact. energy: -1.014
local terms energy: -176.029557
where:
bonds (distance) C4'-P energy: -27.436
bonds (distance) P-C4' energy: -45.473
flat angles C4'-P-C4' energy: -37.978
flat angles P-C4'-P energy: -27.600
tors. eta vs tors. theta energy: -37.542
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: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -447.594640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.594640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.594640 (E_RNA)
where:
Base-Base interactions energy: -283.519
where: short stacking energy: -127.660
Base-Backbone interact. energy: -0.490
local terms energy: -163.585599
where:
bonds (distance) C4'-P energy: -33.943
bonds (distance) P-C4' energy: -36.979
flat angles C4'-P-C4' energy: -33.731
flat angles P-C4'-P energy: -27.664
tors. eta vs tors. theta energy: -31.269
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: 10
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -419.298155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.298155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.298155 (E_RNA)
where:
Base-Base interactions energy: -243.012
where: short stacking energy: -115.362
Base-Backbone interact. energy: -0.105
local terms energy: -176.180694
where:
bonds (distance) C4'-P energy: -37.458
bonds (distance) P-C4' energy: -43.337
flat angles C4'-P-C4' energy: -36.464
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -36.689
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: 3
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -402.883751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.883751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.883751 (E_RNA)
where:
Base-Base interactions energy: -240.796
where: short stacking energy: -117.792
Base-Backbone interact. energy: 2.959
local terms energy: -165.047248
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -42.478
flat angles C4'-P-C4' energy: -46.071
flat angles P-C4'-P energy: -30.584
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -194.044282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.044282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.044282 (E_RNA)
where:
Base-Base interactions energy: -77.975
where: short stacking energy: -57.455
Base-Backbone interact. energy: 0.642
local terms energy: -116.711358
where:
bonds (distance) C4'-P energy: -41.860
bonds (distance) P-C4' energy: -32.513
flat angles C4'-P-C4' energy: -31.570
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: 2.408
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: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -757.155690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.155690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.155690 (E_RNA)
where:
Base-Base interactions energy: -520.005
where: short stacking energy: -217.125
Base-Backbone interact. energy: -1.906
local terms energy: -235.245166
where:
bonds (distance) C4'-P energy: -43.574
bonds (distance) P-C4' energy: -43.312
flat angles C4'-P-C4' energy: -44.051
flat angles P-C4'-P energy: -32.795
tors. eta vs tors. theta energy: -71.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -730.650009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.650009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.650009 (E_RNA)
where:
Base-Base interactions energy: -489.785
where: short stacking energy: -214.079
Base-Backbone interact. energy: -0.138
local terms energy: -240.727018
where:
bonds (distance) C4'-P energy: -34.476
bonds (distance) P-C4' energy: -50.626
flat angles C4'-P-C4' energy: -51.010
flat angles P-C4'-P energy: -35.929
tors. eta vs tors. theta energy: -68.685
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: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -700.380339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.380339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.380339 (E_RNA)
where:
Base-Base interactions energy: -487.451
where: short stacking energy: -217.387
Base-Backbone interact. energy: 0.003
local terms energy: -212.932580
where:
bonds (distance) C4'-P energy: -32.619
bonds (distance) P-C4' energy: -37.856
flat angles C4'-P-C4' energy: -47.295
flat angles P-C4'-P energy: -37.277
tors. eta vs tors. theta energy: -57.886
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: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -705.665923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.665923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.665923 (E_RNA)
where:
Base-Base interactions energy: -487.717
where: short stacking energy: -215.856
Base-Backbone interact. energy: -1.821
local terms energy: -216.127611
where:
bonds (distance) C4'-P energy: -29.759
bonds (distance) P-C4' energy: -40.111
flat angles C4'-P-C4' energy: -50.823
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -60.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -642.574825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.574825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.574825 (E_RNA)
where:
Base-Base interactions energy: -433.416
where: short stacking energy: -181.847
Base-Backbone interact. energy: -0.279
local terms energy: -208.879291
where:
bonds (distance) C4'-P energy: -47.127
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -41.149
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: -48.812
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: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -566.857491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.857491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.857491 (E_RNA)
where:
Base-Base interactions energy: -376.517
where: short stacking energy: -162.368
Base-Backbone interact. energy: -1.165
local terms energy: -189.175129
where:
bonds (distance) C4'-P energy: -38.469
bonds (distance) P-C4' energy: -36.428
flat angles C4'-P-C4' energy: -44.528
flat angles P-C4'-P energy: -35.389
tors. eta vs tors. theta energy: -34.361
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: 7, replica: 8
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -494.319215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.319215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.319215 (E_RNA)
where:
Base-Base interactions energy: -328.215
where: short stacking energy: -166.118
Base-Backbone interact. energy: -1.552
local terms energy: -164.551655
where:
bonds (distance) C4'-P energy: -33.786
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -36.143
flat angles P-C4'-P energy: -22.110
tors. eta vs tors. theta energy: -40.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -409.254967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.254967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.254967 (E_RNA)
where:
Base-Base interactions energy: -252.488
where: short stacking energy: -118.540
Base-Backbone interact. energy: -0.367
local terms energy: -156.399761
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -41.379
flat angles C4'-P-C4' energy: -40.234
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -12.920
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: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -391.503255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.503255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.503255 (E_RNA)
where:
Base-Base interactions energy: -246.055
where: short stacking energy: -113.676
Base-Backbone interact. energy: -0.454
local terms energy: -144.993478
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -40.724
flat angles C4'-P-C4' energy: -36.519
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -195.857963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.857963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.857963 (E_RNA)
where:
Base-Base interactions energy: -67.903
where: short stacking energy: -63.852
Base-Backbone interact. energy: -1.077
local terms energy: -126.878935
where:
bonds (distance) C4'-P energy: -28.682
bonds (distance) P-C4' energy: -40.222
flat angles C4'-P-C4' energy: -38.160
flat angles P-C4'-P energy: -22.932
tors. eta vs tors. theta energy: 3.119
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: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -742.100668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.100668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.100668 (E_RNA)
where:
Base-Base interactions energy: -508.273
where: short stacking energy: -217.689
Base-Backbone interact. energy: -1.879
local terms energy: -231.949269
where:
bonds (distance) C4'-P energy: -40.934
bonds (distance) P-C4' energy: -49.372
flat angles C4'-P-C4' energy: -37.071
flat angles P-C4'-P energy: -30.946
tors. eta vs tors. theta energy: -73.627
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: 2, replica: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -738.348391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.348391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.348391 (E_RNA)
where:
Base-Base interactions energy: -499.719
where: short stacking energy: -222.540
Base-Backbone interact. energy: -1.153
local terms energy: -237.476482
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -48.972
flat angles C4'-P-C4' energy: -44.407
flat angles P-C4'-P energy: -37.267
tors. eta vs tors. theta energy: -66.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -713.515327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.515327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.515327 (E_RNA)
where:
Base-Base interactions energy: -500.246
where: short stacking energy: -213.522
Base-Backbone interact. energy: 0.676
local terms energy: -213.946048
where:
bonds (distance) C4'-P energy: -35.668
bonds (distance) P-C4' energy: -35.710
flat angles C4'-P-C4' energy: -46.569
flat angles P-C4'-P energy: -33.504
tors. eta vs tors. theta energy: -62.495
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: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -674.220454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.220454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.220454 (E_RNA)
where:
Base-Base interactions energy: -469.397
where: short stacking energy: -207.527
Base-Backbone interact. energy: -0.776
local terms energy: -204.047722
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -31.761
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -30.908
tors. eta vs tors. theta energy: -58.460
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: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -648.976503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.976503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.976503 (E_RNA)
where:
Base-Base interactions energy: -439.018
where: short stacking energy: -184.349
Base-Backbone interact. energy: -0.407
local terms energy: -209.551445
where:
bonds (distance) C4'-P energy: -31.471
bonds (distance) P-C4' energy: -44.465
flat angles C4'-P-C4' energy: -51.256
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -55.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -544.280614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.280614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.280614 (E_RNA)
where:
Base-Base interactions energy: -356.015
where: short stacking energy: -168.129
Base-Backbone interact. energy: 1.324
local terms energy: -189.589462
where:
bonds (distance) C4'-P energy: -51.095
bonds (distance) P-C4' energy: -32.852
flat angles C4'-P-C4' energy: -36.828
flat angles P-C4'-P energy: -25.769
tors. eta vs tors. theta energy: -43.046
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: 8
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -446.194616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.194616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.194616 (E_RNA)
where:
Base-Base interactions energy: -270.863
where: short stacking energy: -134.279
Base-Backbone interact. energy: -0.610
local terms energy: -174.721144
where:
bonds (distance) C4'-P energy: -36.259
bonds (distance) P-C4' energy: -40.995
flat angles C4'-P-C4' energy: -38.445
flat angles P-C4'-P energy: -27.085
tors. eta vs tors. theta energy: -31.937
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: 8, replica: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -423.773793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.773793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.773793 (E_RNA)
where:
Base-Base interactions energy: -277.490
where: short stacking energy: -129.604
Base-Backbone interact. energy: 0.078
local terms energy: -146.362596
where:
bonds (distance) C4'-P energy: -38.579
bonds (distance) P-C4' energy: -25.997
flat angles C4'-P-C4' energy: -36.970
flat angles P-C4'-P energy: -28.363
tors. eta vs tors. theta energy: -16.454
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: 254
Temperature: 1.300000
Total energy: -350.049530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.049530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.049530 (E_RNA)
where:
Base-Base interactions energy: -210.996
where: short stacking energy: -94.752
Base-Backbone interact. energy: -0.499
local terms energy: -138.554554
where:
bonds (distance) C4'-P energy: -34.081
bonds (distance) P-C4' energy: -34.466
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -11.837
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: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -183.302055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.302055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.302055 (E_RNA)
where:
Base-Base interactions energy: -55.780
where: short stacking energy: -52.054
Base-Backbone interact. energy: -0.974
local terms energy: -126.548485
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -41.175
flat angles C4'-P-C4' energy: -33.067
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: 7.105
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: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -750.771019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.771019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.771019 (E_RNA)
where:
Base-Base interactions energy: -528.626
where: short stacking energy: -218.388
Base-Backbone interact. energy: 0.638
local terms energy: -222.783097
where:
bonds (distance) C4'-P energy: -39.763
bonds (distance) P-C4' energy: -39.341
flat angles C4'-P-C4' energy: -45.879
flat angles P-C4'-P energy: -35.042
tors. eta vs tors. theta energy: -62.759
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: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -731.242886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.242886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.242886 (E_RNA)
where:
Base-Base interactions energy: -493.332
where: short stacking energy: -219.261
Base-Backbone interact. energy: -0.575
local terms energy: -237.335771
where:
bonds (distance) C4'-P energy: -41.991
bonds (distance) P-C4' energy: -47.917
flat angles C4'-P-C4' energy: -49.493
flat angles P-C4'-P energy: -37.673
tors. eta vs tors. theta energy: -60.262
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: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -705.377363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.377363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.377363 (E_RNA)
where:
Base-Base interactions energy: -481.475
where: short stacking energy: -206.384
Base-Backbone interact. energy: -0.771
local terms energy: -223.131809
where:
bonds (distance) C4'-P energy: -45.370
bonds (distance) P-C4' energy: -43.264
flat angles C4'-P-C4' energy: -46.591
flat angles P-C4'-P energy: -24.156
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: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -667.297714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.297714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.297714 (E_RNA)
where:
Base-Base interactions energy: -442.694
where: short stacking energy: -210.151
Base-Backbone interact. energy: 0.361
local terms energy: -224.964535
where:
bonds (distance) C4'-P energy: -39.714
bonds (distance) P-C4' energy: -39.483
flat angles C4'-P-C4' energy: -47.665
flat angles P-C4'-P energy: -36.491
tors. eta vs tors. theta energy: -61.611
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: 5, replica: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -656.012419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.012419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.012419 (E_RNA)
where:
Base-Base interactions energy: -439.181
where: short stacking energy: -190.323
Base-Backbone interact. energy: -1.427
local terms energy: -215.404927
where:
bonds (distance) C4'-P energy: -39.078
bonds (distance) P-C4' energy: -41.453
flat angles C4'-P-C4' energy: -47.824
flat angles P-C4'-P energy: -34.522
tors. eta vs tors. theta energy: -52.527
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: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -488.398160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.398160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.398160 (E_RNA)
where:
Base-Base interactions energy: -310.605
where: short stacking energy: -163.200
Base-Backbone interact. energy: -1.374
local terms energy: -176.419854
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -32.492
flat angles C4'-P-C4' energy: -38.928
flat angles P-C4'-P energy: -24.068
tors. eta vs tors. theta energy: -37.455
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: 255
Temperature: 1.200000
Total energy: -531.291097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.291097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.291097 (E_RNA)
where:
Base-Base interactions energy: -356.660
where: short stacking energy: -159.940
Base-Backbone interact. energy: -0.410
local terms energy: -174.220931
where:
bonds (distance) C4'-P energy: -40.239
bonds (distance) P-C4' energy: -43.726
flat angles C4'-P-C4' energy: -34.449
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -34.867
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: 8, replica: 10
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -368.755437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.755437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.755437 (E_RNA)
where:
Base-Base interactions energy: -203.185
where: short stacking energy: -98.450
Base-Backbone interact. energy: -0.560
local terms energy: -165.010550
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -40.425
flat angles C4'-P-C4' energy: -36.266
flat angles P-C4'-P energy: -31.330
tors. eta vs tors. theta energy: -15.209
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: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -335.205393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.205393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.205393 (E_RNA)
where:
Base-Base interactions energy: -177.800
where: short stacking energy: -90.176
Base-Backbone interact. energy: -0.872
local terms energy: -156.533628
where:
bonds (distance) C4'-P energy: -44.465
bonds (distance) P-C4' energy: -41.671
flat angles C4'-P-C4' energy: -33.857
flat angles P-C4'-P energy: -22.729
tors. eta vs tors. theta energy: -13.812
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: 255
Temperature: 1.350000
Total energy: -185.023095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.023095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.023095 (E_RNA)
where:
Base-Base interactions energy: -75.398
where: short stacking energy: -54.964
Base-Backbone interact. energy: -1.472
local terms energy: -108.153355
where:
bonds (distance) C4'-P energy: -25.056
bonds (distance) P-C4' energy: -44.040
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -21.592
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: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -746.405660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.405660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.405660 (E_RNA)
where:
Base-Base interactions energy: -499.945
where: short stacking energy: -232.875
Base-Backbone interact. energy: -1.305
local terms energy: -245.155596
where:
bonds (distance) C4'-P energy: -42.146
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -49.704
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -70.521
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: 6
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -749.601276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.601276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.601276 (E_RNA)
where:
Base-Base interactions energy: -524.971
where: short stacking energy: -219.822
Base-Backbone interact. energy: -0.343
local terms energy: -224.288035
where:
bonds (distance) C4'-P energy: -42.354
bonds (distance) P-C4' energy: -44.701
flat angles C4'-P-C4' energy: -43.525
flat angles P-C4'-P energy: -28.562
tors. eta vs tors. theta energy: -65.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -697.630634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.630634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.630634 (E_RNA)
where:
Base-Base interactions energy: -476.003
where: short stacking energy: -209.037
Base-Backbone interact. energy: -1.839
local terms energy: -219.788952
where:
bonds (distance) C4'-P energy: -41.372
bonds (distance) P-C4' energy: -43.573
flat angles C4'-P-C4' energy: -40.714
flat angles P-C4'-P energy: -31.324
tors. eta vs tors. theta energy: -62.806
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: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -675.974291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.974291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.974291 (E_RNA)
where:
Base-Base interactions energy: -444.645
where: short stacking energy: -210.296
Base-Backbone interact. energy: -0.199
local terms energy: -231.131118
where:
bonds (distance) C4'-P energy: -46.785
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -46.340
flat angles P-C4'-P energy: -34.080
tors. eta vs tors. theta energy: -62.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -640.089819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.089819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.089819 (E_RNA)
where:
Base-Base interactions energy: -436.545
where: short stacking energy: -195.378
Base-Backbone interact. energy: -0.650
local terms energy: -202.894697
where:
bonds (distance) C4'-P energy: -39.746
bonds (distance) P-C4' energy: -39.557
flat angles C4'-P-C4' energy: -48.486
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -51.497
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: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -518.297375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.297375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.297375 (E_RNA)
where:
Base-Base interactions energy: -311.993
where: short stacking energy: -152.575
Base-Backbone interact. energy: -1.082
local terms energy: -205.222045
where:
bonds (distance) C4'-P energy: -40.916
bonds (distance) P-C4' energy: -44.691
flat angles C4'-P-C4' energy: -50.033
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -39.324
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: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -547.273211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.273211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.273211 (E_RNA)
where:
Base-Base interactions energy: -360.256
where: short stacking energy: -166.601
Base-Backbone interact. energy: 0.278
local terms energy: -187.295337
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -38.475
flat angles P-C4'-P energy: -27.472
tors. eta vs tors. theta energy: -44.870
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: 8, replica: 10
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -393.233231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.233231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.233231 (E_RNA)
where:
Base-Base interactions energy: -237.190
where: short stacking energy: -112.766
Base-Backbone interact. energy: 1.228
local terms energy: -157.271460
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -43.722
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -26.331
tors. eta vs tors. theta energy: -10.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -310.352324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.352324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.352324 (E_RNA)
where:
Base-Base interactions energy: -186.492
where: short stacking energy: -79.479
Base-Backbone interact. energy: -2.619
local terms energy: -121.241221
where:
bonds (distance) C4'-P energy: -33.236
bonds (distance) P-C4' energy: -33.875
flat angles C4'-P-C4' energy: -33.325
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -213.666233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.666233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.666233 (E_RNA)
where:
Base-Base interactions energy: -79.848
where: short stacking energy: -75.611
Base-Backbone interact. energy: 0.036
local terms energy: -133.854147
where:
bonds (distance) C4'-P energy: -29.704
bonds (distance) P-C4' energy: -31.172
flat angles C4'-P-C4' energy: -44.322
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -4.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -744.193540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.193540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.193540 (E_RNA)
where:
Base-Base interactions energy: -503.040
where: short stacking energy: -231.646
Base-Backbone interact. energy: -0.569
local terms energy: -240.584868
where:
bonds (distance) C4'-P energy: -44.155
bonds (distance) P-C4' energy: -43.073
flat angles C4'-P-C4' energy: -52.057
flat angles P-C4'-P energy: -30.424
tors. eta vs tors. theta energy: -70.875
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: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -740.244439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.244439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.244439 (E_RNA)
where:
Base-Base interactions energy: -513.429
where: short stacking energy: -225.202
Base-Backbone interact. energy: -0.231
local terms energy: -226.583946
where:
bonds (distance) C4'-P energy: -40.691
bonds (distance) P-C4' energy: -41.361
flat angles C4'-P-C4' energy: -45.806
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -64.913
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: 3, replica: 5
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -722.302300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.302300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.302300 (E_RNA)
where:
Base-Base interactions energy: -484.578
where: short stacking energy: -222.499
Base-Backbone interact. energy: -1.461
local terms energy: -236.262499
where:
bonds (distance) C4'-P energy: -46.525
bonds (distance) P-C4' energy: -48.048
flat angles C4'-P-C4' energy: -44.419
flat angles P-C4'-P energy: -31.032
tors. eta vs tors. theta energy: -66.239
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: 4, replica: 4
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -652.693825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.693825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.693825 (E_RNA)
where:
Base-Base interactions energy: -433.592
where: short stacking energy: -190.440
Base-Backbone interact. energy: -1.304
local terms energy: -217.798128
where:
bonds (distance) C4'-P energy: -42.290
bonds (distance) P-C4' energy: -40.086
flat angles C4'-P-C4' energy: -48.919
flat angles P-C4'-P energy: -29.926
tors. eta vs tors. theta energy: -56.578
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: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -675.757062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.757062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.757062 (E_RNA)
where:
Base-Base interactions energy: -464.876
where: short stacking energy: -222.895
Base-Backbone interact. energy: -0.606
local terms energy: -210.275522
where:
bonds (distance) C4'-P energy: -40.279
bonds (distance) P-C4' energy: -36.044
flat angles C4'-P-C4' energy: -40.893
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -67.927
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: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -553.290926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.290926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.290926 (E_RNA)
where:
Base-Base interactions energy: -347.928
where: short stacking energy: -183.053
Base-Backbone interact. energy: -1.601
local terms energy: -203.761974
where:
bonds (distance) C4'-P energy: -39.156
bonds (distance) P-C4' energy: -43.573
flat angles C4'-P-C4' energy: -47.061
flat angles P-C4'-P energy: -18.726
tors. eta vs tors. theta energy: -55.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -518.361876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.361876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.361876 (E_RNA)
where:
Base-Base interactions energy: -348.375
where: short stacking energy: -157.637
Base-Backbone interact. energy: -0.514
local terms energy: -169.473238
where:
bonds (distance) C4'-P energy: -35.520
bonds (distance) P-C4' energy: -31.783
flat angles C4'-P-C4' energy: -37.522
flat angles P-C4'-P energy: -27.325
tors. eta vs tors. theta energy: -37.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -425.192725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.192725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.192725 (E_RNA)
where:
Base-Base interactions energy: -268.709
where: short stacking energy: -127.826
Base-Backbone interact. energy: -0.911
local terms energy: -155.572028
where:
bonds (distance) C4'-P energy: -36.665
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -44.576
flat angles P-C4'-P energy: -21.494
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: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -328.994067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.994067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.994067 (E_RNA)
where:
Base-Base interactions energy: -180.403
where: short stacking energy: -82.227
Base-Backbone interact. energy: -2.525
local terms energy: -146.066751
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -42.753
flat angles C4'-P-C4' energy: -38.556
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -217.913790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.913790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.913790 (E_RNA)
where:
Base-Base interactions energy: -92.847
where: short stacking energy: -72.716
Base-Backbone interact. energy: -0.340
local terms energy: -124.727125
where:
bonds (distance) C4'-P energy: -34.357
bonds (distance) P-C4' energy: -35.701
flat angles C4'-P-C4' energy: -34.803
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -747.498023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.498023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.498023 (E_RNA)
where:
Base-Base interactions energy: -511.829
where: short stacking energy: -218.912
Base-Backbone interact. energy: -0.601
local terms energy: -235.067650
where:
bonds (distance) C4'-P energy: -49.432
bonds (distance) P-C4' energy: -41.030
flat angles C4'-P-C4' energy: -44.174
flat angles P-C4'-P energy: -34.358
tors. eta vs tors. theta energy: -66.074
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: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -740.088551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.088551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.088551 (E_RNA)
where:
Base-Base interactions energy: -500.723
where: short stacking energy: -223.639
Base-Backbone interact. energy: -1.283
local terms energy: -238.083344
where:
bonds (distance) C4'-P energy: -42.520
bonds (distance) P-C4' energy: -47.863
flat angles C4'-P-C4' energy: -48.580
flat angles P-C4'-P energy: -31.767
tors. eta vs tors. theta energy: -67.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -712.769150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.769150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.769150 (E_RNA)
where:
Base-Base interactions energy: -473.597
where: short stacking energy: -215.012
Base-Backbone interact. energy: -0.287
local terms energy: -238.884536
where:
bonds (distance) C4'-P energy: -43.433
bonds (distance) P-C4' energy: -44.093
flat angles C4'-P-C4' energy: -50.313
flat angles P-C4'-P energy: -35.660
tors. eta vs tors. theta energy: -65.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -673.189101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.189101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.189101 (E_RNA)
where:
Base-Base interactions energy: -463.980
where: short stacking energy: -210.695
Base-Backbone interact. energy: -1.406
local terms energy: -207.802419
where:
bonds (distance) C4'-P energy: -40.067
bonds (distance) P-C4' energy: -34.991
flat angles C4'-P-C4' energy: -47.725
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -53.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -659.351916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.351916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.351916 (E_RNA)
where:
Base-Base interactions energy: -461.761
where: short stacking energy: -196.473
Base-Backbone interact. energy: 0.796
local terms energy: -198.387673
where:
bonds (distance) C4'-P energy: -40.651
bonds (distance) P-C4' energy: -29.559
flat angles C4'-P-C4' energy: -39.081
flat angles P-C4'-P energy: -30.407
tors. eta vs tors. theta energy: -58.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -539.488952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.488952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.488952 (E_RNA)
where:
Base-Base interactions energy: -345.904
where: short stacking energy: -162.105
Base-Backbone interact. energy: -0.885
local terms energy: -192.700073
where:
bonds (distance) C4'-P energy: -37.625
bonds (distance) P-C4' energy: -33.093
flat angles C4'-P-C4' energy: -45.871
flat angles P-C4'-P energy: -33.648
tors. eta vs tors. theta energy: -42.464
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: 7
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -544.132384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.132384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.132384 (E_RNA)
where:
Base-Base interactions energy: -347.185
where: short stacking energy: -153.035
Base-Backbone interact. energy: -1.174
local terms energy: -195.773570
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -35.663
flat angles C4'-P-C4' energy: -42.120
flat angles P-C4'-P energy: -30.396
tors. eta vs tors. theta energy: -43.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -480.658746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.658746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.658746 (E_RNA)
where:
Base-Base interactions energy: -301.490
where: short stacking energy: -142.098
Base-Backbone interact. energy: -0.490
local terms energy: -178.678762
where:
bonds (distance) C4'-P energy: -32.072
bonds (distance) P-C4' energy: -35.839
flat angles C4'-P-C4' energy: -47.732
flat angles P-C4'-P energy: -32.513
tors. eta vs tors. theta energy: -30.524
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: 3
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -328.447823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.447823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.447823 (E_RNA)
where:
Base-Base interactions energy: -169.506
where: short stacking energy: -93.710
Base-Backbone interact. energy: 0.639
local terms energy: -159.580653
where:
bonds (distance) C4'-P energy: -39.741
bonds (distance) P-C4' energy: -34.142
flat angles C4'-P-C4' energy: -44.696
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -21.013
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: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -190.882732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.882732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.882732 (E_RNA)
where:
Base-Base interactions energy: -69.404
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.830
local terms energy: -120.648586
where:
bonds (distance) C4'-P energy: -31.422
bonds (distance) P-C4' energy: -39.605
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -19.367
tors. eta vs tors. theta energy: 2.045
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: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -761.913797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.913797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.913797 (E_RNA)
where:
Base-Base interactions energy: -540.640
where: short stacking energy: -214.682
Base-Backbone interact. energy: -0.473
local terms energy: -220.800564
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -44.995
flat angles P-C4'-P energy: -23.418
tors. eta vs tors. theta energy: -69.778
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: 2, replica: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -738.897155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.897155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.897155 (E_RNA)
where:
Base-Base interactions energy: -511.536
where: short stacking energy: -237.745
Base-Backbone interact. energy: -1.240
local terms energy: -226.121033
where:
bonds (distance) C4'-P energy: -36.874
bonds (distance) P-C4' energy: -39.647
flat angles C4'-P-C4' energy: -51.454
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: -67.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -705.818960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.818960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.818960 (E_RNA)
where:
Base-Base interactions energy: -483.569
where: short stacking energy: -214.910
Base-Backbone interact. energy: -0.421
local terms energy: -221.828693
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -42.566
flat angles C4'-P-C4' energy: -47.662
flat angles P-C4'-P energy: -32.648
tors. eta vs tors. theta energy: -56.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -685.588874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.588874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.588874 (E_RNA)
where:
Base-Base interactions energy: -478.213
where: short stacking energy: -194.770
Base-Backbone interact. energy: -0.452
local terms energy: -206.923127
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -41.603
flat angles C4'-P-C4' energy: -46.696
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -52.359
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: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -653.240209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.240209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.240209 (E_RNA)
where:
Base-Base interactions energy: -450.450
where: short stacking energy: -202.562
Base-Backbone interact. energy: -0.860
local terms energy: -201.930904
where:
bonds (distance) C4'-P energy: -43.220
bonds (distance) P-C4' energy: -38.732
flat angles C4'-P-C4' energy: -36.084
flat angles P-C4'-P energy: -26.306
tors. eta vs tors. theta energy: -57.590
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: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -532.931570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.931570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.931570 (E_RNA)
where:
Base-Base interactions energy: -327.309
where: short stacking energy: -165.795
Base-Backbone interact. energy: -1.281
local terms energy: -204.341672
where:
bonds (distance) C4'-P energy: -33.931
bonds (distance) P-C4' energy: -46.248
flat angles C4'-P-C4' energy: -44.675
flat angles P-C4'-P energy: -24.820
tors. eta vs tors. theta energy: -54.668
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: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -544.773044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.773044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.773044 (E_RNA)
where:
Base-Base interactions energy: -363.534
where: short stacking energy: -162.442
Base-Backbone interact. energy: 0.230
local terms energy: -181.469034
where:
bonds (distance) C4'-P energy: -37.831
bonds (distance) P-C4' energy: -44.073
flat angles C4'-P-C4' energy: -41.529
flat angles P-C4'-P energy: -23.773
tors. eta vs tors. theta energy: -34.263
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: 10
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -463.871198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.871198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.871198 (E_RNA)
where:
Base-Base interactions energy: -286.997
where: short stacking energy: -148.692
Base-Backbone interact. energy: -0.161
local terms energy: -176.713037
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -44.380
flat angles C4'-P-C4' energy: -37.249
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -36.722
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: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -312.125565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.125565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.125565 (E_RNA)
where:
Base-Base interactions energy: -159.667
where: short stacking energy: -84.659
Base-Backbone interact. energy: -0.429
local terms energy: -152.029559
where:
bonds (distance) C4'-P energy: -26.665
bonds (distance) P-C4' energy: -43.972
flat angles C4'-P-C4' energy: -45.421
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -13.848
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: 10, replica: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -224.558788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.558788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.558788 (E_RNA)
where:
Base-Base interactions energy: -95.935
where: short stacking energy: -85.786
Base-Backbone interact. energy: -0.550
local terms energy: -128.074080
where:
bonds (distance) C4'-P energy: -35.000
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -26.265
flat angles P-C4'-P energy: -17.826
tors. eta vs tors. theta energy: -14.873
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: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -759.985745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.985745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.985745 (E_RNA)
where:
Base-Base interactions energy: -526.161
where: short stacking energy: -230.405
Base-Backbone interact. energy: -1.910
local terms energy: -231.914445
where:
bonds (distance) C4'-P energy: -42.813
bonds (distance) P-C4' energy: -44.844
flat angles C4'-P-C4' energy: -47.853
flat angles P-C4'-P energy: -29.509
tors. eta vs tors. theta energy: -66.895
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: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -727.098397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.098397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.098397 (E_RNA)
where:
Base-Base interactions energy: -497.043
where: short stacking energy: -226.664
Base-Backbone interact. energy: 0.710
local terms energy: -230.764826
where:
bonds (distance) C4'-P energy: -35.610
bonds (distance) P-C4' energy: -43.185
flat angles C4'-P-C4' energy: -49.995
flat angles P-C4'-P energy: -35.784
tors. eta vs tors. theta energy: -66.191
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: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -706.135814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.135814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.135814 (E_RNA)
where:
Base-Base interactions energy: -479.405
where: short stacking energy: -215.215
Base-Backbone interact. energy: -0.106
local terms energy: -226.624119
where:
bonds (distance) C4'-P energy: -43.160
bonds (distance) P-C4' energy: -48.976
flat angles C4'-P-C4' energy: -42.671
flat angles P-C4'-P energy: -32.696
tors. eta vs tors. theta energy: -59.121
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: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -682.081273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.081273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.081273 (E_RNA)
where:
Base-Base interactions energy: -469.696
where: short stacking energy: -192.718
Base-Backbone interact. energy: -0.388
local terms energy: -211.997549
where:
bonds (distance) C4'-P energy: -38.986
bonds (distance) P-C4' energy: -40.147
flat angles C4'-P-C4' energy: -46.220
flat angles P-C4'-P energy: -31.244
tors. eta vs tors. theta energy: -55.400
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: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -639.794730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.794730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.794730 (E_RNA)
where:
Base-Base interactions energy: -429.027
where: short stacking energy: -196.868
Base-Backbone interact. energy: -0.052
local terms energy: -210.715079
where:
bonds (distance) C4'-P energy: -39.275
bonds (distance) P-C4' energy: -44.217
flat angles C4'-P-C4' energy: -37.966
flat angles P-C4'-P energy: -32.148
tors. eta vs tors. theta energy: -57.108
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: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -526.120536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.120536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.120536 (E_RNA)
where:
Base-Base interactions energy: -339.817
where: short stacking energy: -148.073
Base-Backbone interact. energy: 2.165
local terms energy: -188.468368
where:
bonds (distance) C4'-P energy: -35.081
bonds (distance) P-C4' energy: -47.463
flat angles C4'-P-C4' energy: -48.164
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -37.389
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: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -536.299779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.299779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.299779 (E_RNA)
where:
Base-Base interactions energy: -357.722
where: short stacking energy: -155.358
Base-Backbone interact. energy: -1.194
local terms energy: -177.383321
where:
bonds (distance) C4'-P energy: -25.613
bonds (distance) P-C4' energy: -32.173
flat angles C4'-P-C4' energy: -40.167
flat angles P-C4'-P energy: -32.010
tors. eta vs tors. theta energy: -47.420
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: 10
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -430.139354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.139354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.139354 (E_RNA)
where:
Base-Base interactions energy: -264.909
where: short stacking energy: -124.285
Base-Backbone interact. energy: -0.682
local terms energy: -164.549122
where:
bonds (distance) C4'-P energy: -38.564
bonds (distance) P-C4' energy: -35.936
flat angles C4'-P-C4' energy: -36.128
flat angles P-C4'-P energy: -23.722
tors. eta vs tors. theta energy: -30.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -305.694609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.694609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.694609 (E_RNA)
where:
Base-Base interactions energy: -168.231
where: short stacking energy: -86.390
Base-Backbone interact. energy: -0.922
local terms energy: -136.541685
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -39.270
flat angles P-C4'-P energy: -18.558
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -205.633655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.633655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.633655 (E_RNA)
where:
Base-Base interactions energy: -73.641
where: short stacking energy: -54.861
Base-Backbone interact. energy: -1.467
local terms energy: -130.525493
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -41.857
flat angles C4'-P-C4' energy: -32.777
flat angles P-C4'-P energy: -22.834
tors. eta vs tors. theta energy: 2.380
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: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -755.067086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.067086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.067086 (E_RNA)
where:
Base-Base interactions energy: -523.395
where: short stacking energy: -229.032
Base-Backbone interact. energy: 0.763
local terms energy: -232.434332
where:
bonds (distance) C4'-P energy: -43.678
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -46.208
flat angles P-C4'-P energy: -27.153
tors. eta vs tors. theta energy: -68.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -714.956349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.956349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.956349 (E_RNA)
where:
Base-Base interactions energy: -484.243
where: short stacking energy: -200.401
Base-Backbone interact. energy: -0.715
local terms energy: -229.997457
where:
bonds (distance) C4'-P energy: -42.471
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -44.366
flat angles P-C4'-P energy: -37.025
tors. eta vs tors. theta energy: -58.587
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: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -697.620400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.620400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.620400 (E_RNA)
where:
Base-Base interactions energy: -468.120
where: short stacking energy: -219.387
Base-Backbone interact. energy: -0.119
local terms energy: -229.382046
where:
bonds (distance) C4'-P energy: -45.163
bonds (distance) P-C4' energy: -46.715
flat angles C4'-P-C4' energy: -47.960
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -61.374
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: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -685.493189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.493189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.493189 (E_RNA)
where:
Base-Base interactions energy: -468.873
where: short stacking energy: -215.714
Base-Backbone interact. energy: 0.679
local terms energy: -217.299553
where:
bonds (distance) C4'-P energy: -39.974
bonds (distance) P-C4' energy: -42.447
flat angles C4'-P-C4' energy: -44.121
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -59.326
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: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -674.585833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.585833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.585833 (E_RNA)
where:
Base-Base interactions energy: -455.850
where: short stacking energy: -197.553
Base-Backbone interact. energy: -0.608
local terms energy: -218.128167
where:
bonds (distance) C4'-P energy: -39.323
bonds (distance) P-C4' energy: -43.374
flat angles C4'-P-C4' energy: -48.867
flat angles P-C4'-P energy: -31.312
tors. eta vs tors. theta energy: -55.252
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: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -520.245597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.245597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.245597 (E_RNA)
where:
Base-Base interactions energy: -324.042
where: short stacking energy: -167.984
Base-Backbone interact. energy: -0.490
local terms energy: -195.713504
where:
bonds (distance) C4'-P energy: -34.558
bonds (distance) P-C4' energy: -46.078
flat angles C4'-P-C4' energy: -44.603
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -39.568
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: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -546.481009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.481009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.481009 (E_RNA)
where:
Base-Base interactions energy: -356.769
where: short stacking energy: -167.997
Base-Backbone interact. energy: 2.045
local terms energy: -191.756759
where:
bonds (distance) C4'-P energy: -33.816
bonds (distance) P-C4' energy: -38.646
flat angles C4'-P-C4' energy: -45.116
flat angles P-C4'-P energy: -28.755
tors. eta vs tors. theta energy: -45.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -439.144268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.144268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.144268 (E_RNA)
where:
Base-Base interactions energy: -279.538
where: short stacking energy: -143.349
Base-Backbone interact. energy: -0.506
local terms energy: -159.099480
where:
bonds (distance) C4'-P energy: -40.209
bonds (distance) P-C4' energy: -32.122
flat angles C4'-P-C4' energy: -40.667
flat angles P-C4'-P energy: -22.823
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -302.720470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.720470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.720470 (E_RNA)
where:
Base-Base interactions energy: -163.944
where: short stacking energy: -101.337
Base-Backbone interact. energy: -0.601
local terms energy: -138.175353
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -40.217
flat angles C4'-P-C4' energy: -27.829
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -18.200
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: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -215.538832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.538832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.538832 (E_RNA)
where:
Base-Base interactions energy: -125.300
where: short stacking energy: -72.272
Base-Backbone interact. energy: -1.729
local terms energy: -88.510653
where:
bonds (distance) C4'-P energy: -30.301
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -24.863
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: 4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -745.231359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.231359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.231359 (E_RNA)
where:
Base-Base interactions energy: -514.358
where: short stacking energy: -203.814
Base-Backbone interact. energy: -0.828
local terms energy: -230.045429
where:
bonds (distance) C4'-P energy: -39.123
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -50.592
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -64.504
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: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -734.059296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.059296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.059296 (E_RNA)
where:
Base-Base interactions energy: -518.139
where: short stacking energy: -216.398
Base-Backbone interact. energy: -1.337
local terms energy: -214.583656
where:
bonds (distance) C4'-P energy: -40.440
bonds (distance) P-C4' energy: -43.107
flat angles C4'-P-C4' energy: -46.366
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -67.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -710.298970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.298970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.298970 (E_RNA)
where:
Base-Base interactions energy: -477.758
where: short stacking energy: -219.113
Base-Backbone interact. energy: -1.140
local terms energy: -231.400703
where:
bonds (distance) C4'-P energy: -43.383
bonds (distance) P-C4' energy: -37.596
flat angles C4'-P-C4' energy: -48.516
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -64.069
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: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -672.030124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.030124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.030124 (E_RNA)
where:
Base-Base interactions energy: -458.906
where: short stacking energy: -197.694
Base-Backbone interact. energy: -0.831
local terms energy: -212.293422
where:
bonds (distance) C4'-P energy: -45.369
bonds (distance) P-C4' energy: -40.138
flat angles C4'-P-C4' energy: -46.095
flat angles P-C4'-P energy: -28.211
tors. eta vs tors. theta energy: -52.480
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: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -677.619974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.619974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.619974 (E_RNA)
where:
Base-Base interactions energy: -472.874
where: short stacking energy: -209.136
Base-Backbone interact. energy: -0.594
local terms energy: -204.152158
where:
bonds (distance) C4'-P energy: -35.754
bonds (distance) P-C4' energy: -37.493
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -57.059
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: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -524.346494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.346494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.346494 (E_RNA)
where:
Base-Base interactions energy: -342.197
where: short stacking energy: -164.132
Base-Backbone interact. energy: -0.875
local terms energy: -181.274696
where:
bonds (distance) C4'-P energy: -42.881
bonds (distance) P-C4' energy: -33.616
flat angles C4'-P-C4' energy: -40.311
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -36.142
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: 7, replica: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -540.782435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.782435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.782435 (E_RNA)
where:
Base-Base interactions energy: -343.532
where: short stacking energy: -148.978
Base-Backbone interact. energy: -0.885
local terms energy: -196.365971
where:
bonds (distance) C4'-P energy: -35.704
bonds (distance) P-C4' energy: -46.285
flat angles C4'-P-C4' energy: -37.322
flat angles P-C4'-P energy: -34.752
tors. eta vs tors. theta energy: -42.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -432.089705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.089705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.089705 (E_RNA)
where:
Base-Base interactions energy: -258.640
where: short stacking energy: -124.454
Base-Backbone interact. energy: -0.417
local terms energy: -173.033042
where:
bonds (distance) C4'-P energy: -44.435
bonds (distance) P-C4' energy: -43.369
flat angles C4'-P-C4' energy: -32.624
flat angles P-C4'-P energy: -22.087
tors. eta vs tors. theta energy: -30.519
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: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -326.566784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.566784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.566784 (E_RNA)
where:
Base-Base interactions energy: -174.093
where: short stacking energy: -92.614
Base-Backbone interact. energy: -1.276
local terms energy: -151.197597
where:
bonds (distance) C4'-P energy: -39.346
bonds (distance) P-C4' energy: -38.411
flat angles C4'-P-C4' energy: -34.699
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -17.744
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: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -271.803046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.803046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.803046 (E_RNA)
where:
Base-Base interactions energy: -148.944
where: short stacking energy: -88.389
Base-Backbone interact. energy: -0.740
local terms energy: -122.119202
where:
bonds (distance) C4'-P energy: -28.140
bonds (distance) P-C4' energy: -42.672
flat angles C4'-P-C4' energy: -32.025
flat angles P-C4'-P energy: -23.407
tors. eta vs tors. theta energy: 4.125
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: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -750.339373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.339373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.339373 (E_RNA)
where:
Base-Base interactions energy: -518.182
where: short stacking energy: -238.226
Base-Backbone interact. energy: -3.695
local terms energy: -228.462419
where:
bonds (distance) C4'-P energy: -39.520
bonds (distance) P-C4' energy: -42.597
flat angles C4'-P-C4' energy: -41.672
flat angles P-C4'-P energy: -36.098
tors. eta vs tors. theta energy: -68.575
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: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -746.164057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.164057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.164057 (E_RNA)
where:
Base-Base interactions energy: -516.360
where: short stacking energy: -214.595
Base-Backbone interact. energy: -1.021
local terms energy: -228.782396
where:
bonds (distance) C4'-P energy: -43.380
bonds (distance) P-C4' energy: -47.887
flat angles C4'-P-C4' energy: -42.481
flat angles P-C4'-P energy: -28.678
tors. eta vs tors. theta energy: -66.357
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: 3, replica: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -707.756321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.756321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.756321 (E_RNA)
where:
Base-Base interactions energy: -472.751
where: short stacking energy: -217.117
Base-Backbone interact. energy: -2.541
local terms energy: -232.463739
where:
bonds (distance) C4'-P energy: -39.038
bonds (distance) P-C4' energy: -45.934
flat angles C4'-P-C4' energy: -52.231
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -59.808
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: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -700.510270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.510270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.510270 (E_RNA)
where:
Base-Base interactions energy: -471.160
where: short stacking energy: -204.378
Base-Backbone interact. energy: -1.157
local terms energy: -228.193280
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -46.078
flat angles C4'-P-C4' energy: -48.036
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -61.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -643.581140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.581140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.581140 (E_RNA)
where:
Base-Base interactions energy: -426.975
where: short stacking energy: -185.182
Base-Backbone interact. energy: -1.064
local terms energy: -215.541355
where:
bonds (distance) C4'-P energy: -40.232
bonds (distance) P-C4' energy: -47.492
flat angles C4'-P-C4' energy: -44.711
flat angles P-C4'-P energy: -26.199
tors. eta vs tors. theta energy: -56.909
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: 6, replica: 7
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -555.237410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.237410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.237410 (E_RNA)
where:
Base-Base interactions energy: -380.203
where: short stacking energy: -164.782
Base-Backbone interact. energy: -0.438
local terms energy: -174.596570
where:
bonds (distance) C4'-P energy: -31.762
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -45.048
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -37.036
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: 7, replica: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -515.359189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.359189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.359189 (E_RNA)
where:
Base-Base interactions energy: -321.245
where: short stacking energy: -157.412
Base-Backbone interact. energy: -0.500
local terms energy: -193.614556
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -47.071
flat angles C4'-P-C4' energy: -42.148
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -42.085
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: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -451.787020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.787020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.787020 (E_RNA)
where:
Base-Base interactions energy: -266.693
where: short stacking energy: -131.408
Base-Backbone interact. energy: 0.345
local terms energy: -185.438358
where:
bonds (distance) C4'-P energy: -43.091
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -26.732
tors. eta vs tors. theta energy: -34.452
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: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -341.444859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.444859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.444859 (E_RNA)
where:
Base-Base interactions energy: -194.243
where: short stacking energy: -104.036
Base-Backbone interact. energy: -1.110
local terms energy: -146.092206
where:
bonds (distance) C4'-P energy: -30.952
bonds (distance) P-C4' energy: -39.451
flat angles C4'-P-C4' energy: -35.147
flat angles P-C4'-P energy: -25.685
tors. eta vs tors. theta energy: -14.858
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: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -304.292354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.292354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.292354 (E_RNA)
where:
Base-Base interactions energy: -164.211
where: short stacking energy: -87.742
Base-Backbone interact. energy: -0.259
local terms energy: -139.821968
where:
bonds (distance) C4'-P energy: -30.048
bonds (distance) P-C4' energy: -44.717
flat angles C4'-P-C4' energy: -39.417
flat angles P-C4'-P energy: -19.845
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -772.017868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.017868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.017868 (E_RNA)
where:
Base-Base interactions energy: -534.949
where: short stacking energy: -235.818
Base-Backbone interact. energy: -1.022
local terms energy: -236.047144
where:
bonds (distance) C4'-P energy: -45.233
bonds (distance) P-C4' energy: -37.269
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -29.496
tors. eta vs tors. theta energy: -70.608
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: 2, replica: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -732.308618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.308618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.308618 (E_RNA)
where:
Base-Base interactions energy: -508.541
where: short stacking energy: -217.899
Base-Backbone interact. energy: -1.205
local terms energy: -222.562711
where:
bonds (distance) C4'-P energy: -43.902
bonds (distance) P-C4' energy: -42.237
flat angles C4'-P-C4' energy: -41.378
flat angles P-C4'-P energy: -31.306
tors. eta vs tors. theta energy: -63.740
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: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -673.495834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.495834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.495834 (E_RNA)
where:
Base-Base interactions energy: -456.344
where: short stacking energy: -208.338
Base-Backbone interact. energy: -1.237
local terms energy: -215.914372
where:
bonds (distance) C4'-P energy: -41.008
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -50.396
flat angles P-C4'-P energy: -33.184
tors. eta vs tors. theta energy: -54.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -709.278894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.278894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.278894 (E_RNA)
where:
Base-Base interactions energy: -488.009
where: short stacking energy: -223.832
Base-Backbone interact. energy: -0.667
local terms energy: -220.602028
where:
bonds (distance) C4'-P energy: -32.292
bonds (distance) P-C4' energy: -43.707
flat angles C4'-P-C4' energy: -46.229
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -61.689
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: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -672.339812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.339812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.339812 (E_RNA)
where:
Base-Base interactions energy: -472.028
where: short stacking energy: -204.034
Base-Backbone interact. energy: -1.143
local terms energy: -199.168699
where:
bonds (distance) C4'-P energy: -30.727
bonds (distance) P-C4' energy: -40.872
flat angles C4'-P-C4' energy: -46.841
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -56.091
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: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -569.604129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.604129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.604129 (E_RNA)
where:
Base-Base interactions energy: -380.573
where: short stacking energy: -167.868
Base-Backbone interact. energy: -0.917
local terms energy: -188.113914
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -36.833
flat angles C4'-P-C4' energy: -40.111
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: -39.501
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: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -516.867944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.867944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.867944 (E_RNA)
where:
Base-Base interactions energy: -335.933
where: short stacking energy: -166.255
Base-Backbone interact. energy: -0.405
local terms energy: -180.530462
where:
bonds (distance) C4'-P energy: -38.539
bonds (distance) P-C4' energy: -38.848
flat angles C4'-P-C4' energy: -39.014
flat angles P-C4'-P energy: -21.639
tors. eta vs tors. theta energy: -42.490
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: 10
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -401.237070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.237070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.237070 (E_RNA)
where:
Base-Base interactions energy: -239.220
where: short stacking energy: -114.201
Base-Backbone interact. energy: -0.710
local terms energy: -161.307260
where:
bonds (distance) C4'-P energy: -36.333
bonds (distance) P-C4' energy: -42.233
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -24.950
tors. eta vs tors. theta energy: -25.228
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: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -344.357329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.357329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.357329 (E_RNA)
where:
Base-Base interactions energy: -206.230
where: short stacking energy: -104.666
Base-Backbone interact. energy: 0.263
local terms energy: -138.390030
where:
bonds (distance) C4'-P energy: -32.899
bonds (distance) P-C4' energy: -40.423
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -230.382852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.382852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.382852 (E_RNA)
where:
Base-Base interactions energy: -83.398
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.704
local terms energy: -146.280819
where:
bonds (distance) C4'-P energy: -41.180
bonds (distance) P-C4' energy: -44.587
flat angles C4'-P-C4' energy: -39.100
flat angles P-C4'-P energy: -23.602
tors. eta vs tors. theta energy: 2.189
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: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -753.973328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.973328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.973328 (E_RNA)
where:
Base-Base interactions energy: -517.850
where: short stacking energy: -214.856
Base-Backbone interact. energy: -0.019
local terms energy: -236.103615
where:
bonds (distance) C4'-P energy: -42.380
bonds (distance) P-C4' energy: -46.668
flat angles C4'-P-C4' energy: -47.736
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -66.170
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: 6
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -736.966798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.966798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.966798 (E_RNA)
where:
Base-Base interactions energy: -510.368
where: short stacking energy: -214.805
Base-Backbone interact. energy: -0.403
local terms energy: -226.195733
where:
bonds (distance) C4'-P energy: -42.483
bonds (distance) P-C4' energy: -43.316
flat angles C4'-P-C4' energy: -46.627
flat angles P-C4'-P energy: -30.764
tors. eta vs tors. theta energy: -63.006
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: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -675.823685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.823685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.823685 (E_RNA)
where:
Base-Base interactions energy: -463.630
where: short stacking energy: -189.243
Base-Backbone interact. energy: -0.712
local terms energy: -211.481988
where:
bonds (distance) C4'-P energy: -46.324
bonds (distance) P-C4' energy: -41.274
flat angles C4'-P-C4' energy: -41.645
flat angles P-C4'-P energy: -34.524
tors. eta vs tors. theta energy: -47.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -668.671430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.671430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.671430 (E_RNA)
where:
Base-Base interactions energy: -451.590
where: short stacking energy: -184.947
Base-Backbone interact. energy: -0.052
local terms energy: -217.029350
where:
bonds (distance) C4'-P energy: -45.347
bonds (distance) P-C4' energy: -41.143
flat angles C4'-P-C4' energy: -44.710
flat angles P-C4'-P energy: -28.535
tors. eta vs tors. theta energy: -57.294
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: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -663.852991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.852991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.852991 (E_RNA)
where:
Base-Base interactions energy: -468.341
where: short stacking energy: -204.870
Base-Backbone interact. energy: -0.970
local terms energy: -194.541642
where:
bonds (distance) C4'-P energy: -28.711
bonds (distance) P-C4' energy: -34.507
flat angles C4'-P-C4' energy: -43.791
flat angles P-C4'-P energy: -27.538
tors. eta vs tors. theta energy: -59.995
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: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -533.704927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.704927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.704927 (E_RNA)
where:
Base-Base interactions energy: -340.581
where: short stacking energy: -167.238
Base-Backbone interact. energy: -1.431
local terms energy: -191.692909
where:
bonds (distance) C4'-P energy: -43.988
bonds (distance) P-C4' energy: -33.586
flat angles C4'-P-C4' energy: -46.526
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -46.371
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: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -543.484741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.484741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.484741 (E_RNA)
where:
Base-Base interactions energy: -347.363
where: short stacking energy: -152.816
Base-Backbone interact. energy: -0.881
local terms energy: -195.241193
where:
bonds (distance) C4'-P energy: -42.100
bonds (distance) P-C4' energy: -42.606
flat angles C4'-P-C4' energy: -46.268
flat angles P-C4'-P energy: -29.545
tors. eta vs tors. theta energy: -34.722
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: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -391.132568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.132568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.132568 (E_RNA)
where:
Base-Base interactions energy: -224.168
where: short stacking energy: -135.745
Base-Backbone interact. energy: -0.163
local terms energy: -166.801045
where:
bonds (distance) C4'-P energy: -31.213
bonds (distance) P-C4' energy: -40.077
flat angles C4'-P-C4' energy: -38.493
flat angles P-C4'-P energy: -24.755
tors. eta vs tors. theta energy: -32.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -358.689909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.689909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.689909 (E_RNA)
where:
Base-Base interactions energy: -222.055
where: short stacking energy: -108.519
Base-Backbone interact. energy: -0.855
local terms energy: -135.780298
where:
bonds (distance) C4'-P energy: -36.872
bonds (distance) P-C4' energy: -36.013
flat angles C4'-P-C4' energy: -42.839
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -191.040653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.040653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.040653 (E_RNA)
where:
Base-Base interactions energy: -76.875
where: short stacking energy: -64.993
Base-Backbone interact. energy: -0.081
local terms energy: -114.084286
where:
bonds (distance) C4'-P energy: -32.808
bonds (distance) P-C4' energy: -43.281
flat angles C4'-P-C4' energy: -23.892
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -772.273651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.273651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.273651 (E_RNA)
where:
Base-Base interactions energy: -539.531
where: short stacking energy: -220.232
Base-Backbone interact. energy: -0.515
local terms energy: -232.227749
where:
bonds (distance) C4'-P energy: -39.884
bonds (distance) P-C4' energy: -46.926
flat angles C4'-P-C4' energy: -47.921
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -66.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -736.744206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.744206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.744206 (E_RNA)
where:
Base-Base interactions energy: -512.623
where: short stacking energy: -210.572
Base-Backbone interact. energy: -0.962
local terms energy: -223.158874
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -39.571
flat angles C4'-P-C4' energy: -51.488
flat angles P-C4'-P energy: -28.053
tors. eta vs tors. theta energy: -62.858
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: 4
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -684.617335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.617335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.617335 (E_RNA)
where:
Base-Base interactions energy: -449.570
where: short stacking energy: -196.002
Base-Backbone interact. energy: -1.861
local terms energy: -233.185894
where:
bonds (distance) C4'-P energy: -48.285
bonds (distance) P-C4' energy: -47.601
flat angles C4'-P-C4' energy: -47.995
flat angles P-C4'-P energy: -28.675
tors. eta vs tors. theta energy: -60.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -672.369478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.369478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.369478 (E_RNA)
where:
Base-Base interactions energy: -457.613
where: short stacking energy: -204.666
Base-Backbone interact. energy: -0.933
local terms energy: -213.822970
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -37.547
flat angles C4'-P-C4' energy: -46.989
flat angles P-C4'-P energy: -34.412
tors. eta vs tors. theta energy: -58.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -642.223099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.223099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.223099 (E_RNA)
where:
Base-Base interactions energy: -428.576
where: short stacking energy: -189.408
Base-Backbone interact. energy: 0.440
local terms energy: -214.087715
where:
bonds (distance) C4'-P energy: -39.284
bonds (distance) P-C4' energy: -40.942
flat angles C4'-P-C4' energy: -51.044
flat angles P-C4'-P energy: -29.084
tors. eta vs tors. theta energy: -53.734
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: 8
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -509.465709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.465709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.465709 (E_RNA)
where:
Base-Base interactions energy: -309.828
where: short stacking energy: -159.591
Base-Backbone interact. energy: 1.096
local terms energy: -200.734596
where:
bonds (distance) C4'-P energy: -43.599
bonds (distance) P-C4' energy: -46.649
flat angles C4'-P-C4' energy: -42.888
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -43.096
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: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -526.735394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.735394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.735394 (E_RNA)
where:
Base-Base interactions energy: -342.454
where: short stacking energy: -156.187
Base-Backbone interact. energy: -0.825
local terms energy: -183.456105
where:
bonds (distance) C4'-P energy: -32.750
bonds (distance) P-C4' energy: -43.918
flat angles C4'-P-C4' energy: -41.116
flat angles P-C4'-P energy: -29.207
tors. eta vs tors. theta energy: -36.465
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: 8, replica: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -357.458785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.458785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.458785 (E_RNA)
where:
Base-Base interactions energy: -209.056
where: short stacking energy: -129.794
Base-Backbone interact. energy: -0.335
local terms energy: -148.067849
where:
bonds (distance) C4'-P energy: -37.419
bonds (distance) P-C4' energy: -40.259
flat angles C4'-P-C4' energy: -26.362
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -26.099
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: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -252.922388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.922388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.922388 (E_RNA)
where:
Base-Base interactions energy: -122.261
where: short stacking energy: -72.051
Base-Backbone interact. energy: 1.015
local terms energy: -131.676545
where:
bonds (distance) C4'-P energy: -35.613
bonds (distance) P-C4' energy: -37.419
flat angles C4'-P-C4' energy: -28.634
flat angles P-C4'-P energy: -17.694
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -372.176030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.176030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.176030 (E_RNA)
where:
Base-Base interactions energy: -226.567
where: short stacking energy: -103.064
Base-Backbone interact. energy: 0.020
local terms energy: -145.629197
where:
bonds (distance) C4'-P energy: -33.182
bonds (distance) P-C4' energy: -39.490
flat angles C4'-P-C4' energy: -41.205
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -13.619
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: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -786.474312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.474312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.474312 (E_RNA)
where:
Base-Base interactions energy: -557.178
where: short stacking energy: -217.940
Base-Backbone interact. energy: -0.199
local terms energy: -229.097041
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -44.567
flat angles C4'-P-C4' energy: -51.107
flat angles P-C4'-P energy: -27.709
tors. eta vs tors. theta energy: -65.404
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: 6
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -739.447241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.447241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.447241 (E_RNA)
where:
Base-Base interactions energy: -514.077
where: short stacking energy: -212.459
Base-Backbone interact. energy: 1.013
local terms energy: -226.383592
where:
bonds (distance) C4'-P energy: -35.126
bonds (distance) P-C4' energy: -45.250
flat angles C4'-P-C4' energy: -41.642
flat angles P-C4'-P energy: -36.206
tors. eta vs tors. theta energy: -68.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -697.826734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.826734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.826734 (E_RNA)
where:
Base-Base interactions energy: -479.720
where: short stacking energy: -214.308
Base-Backbone interact. energy: 5.326
local terms energy: -223.433090
where:
bonds (distance) C4'-P energy: -41.855
bonds (distance) P-C4' energy: -43.588
flat angles C4'-P-C4' energy: -48.026
flat angles P-C4'-P energy: -32.308
tors. eta vs tors. theta energy: -57.657
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: 267
Temperature: 1.050000
Total energy: -680.428295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.428295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.428295 (E_RNA)
where:
Base-Base interactions energy: -459.218
where: short stacking energy: -203.397
Base-Backbone interact. energy: 1.618
local terms energy: -222.829063
where:
bonds (distance) C4'-P energy: -37.580
bonds (distance) P-C4' energy: -47.206
flat angles C4'-P-C4' energy: -41.977
flat angles P-C4'-P energy: -33.829
tors. eta vs tors. theta energy: -62.238
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: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -652.017233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.017233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.017233 (E_RNA)
where:
Base-Base interactions energy: -440.328
where: short stacking energy: -194.461
Base-Backbone interact. energy: -0.166
local terms energy: -211.523259
where:
bonds (distance) C4'-P energy: -38.792
bonds (distance) P-C4' energy: -37.952
flat angles C4'-P-C4' energy: -47.790
flat angles P-C4'-P energy: -32.603
tors. eta vs tors. theta energy: -54.386
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: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -513.425699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.425699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.425699 (E_RNA)
where:
Base-Base interactions energy: -334.200
where: short stacking energy: -154.778
Base-Backbone interact. energy: -1.303
local terms energy: -177.922356
where:
bonds (distance) C4'-P energy: -41.248
bonds (distance) P-C4' energy: -34.039
flat angles C4'-P-C4' energy: -39.494
flat angles P-C4'-P energy: -27.709
tors. eta vs tors. theta energy: -35.433
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: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -525.998745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.998745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.998745 (E_RNA)
where:
Base-Base interactions energy: -346.343
where: short stacking energy: -162.306
Base-Backbone interact. energy: -0.927
local terms energy: -178.729424
where:
bonds (distance) C4'-P energy: -41.626
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -43.954
flat angles P-C4'-P energy: -26.760
tors. eta vs tors. theta energy: -37.347
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: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -360.617610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.617610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.617610 (E_RNA)
where:
Base-Base interactions energy: -223.623
where: short stacking energy: -131.657
Base-Backbone interact. energy: -2.649
local terms energy: -134.345887
where:
bonds (distance) C4'-P energy: -29.381
bonds (distance) P-C4' energy: -28.723
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: -22.582
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: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -278.237022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.237022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.237022 (E_RNA)
where:
Base-Base interactions energy: -141.087
where: short stacking energy: -76.972
Base-Backbone interact. energy: -1.146
local terms energy: -136.003888
where:
bonds (distance) C4'-P energy: -33.439
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -44.908
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -7.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -370.396771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.396771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.396771 (E_RNA)
where:
Base-Base interactions energy: -234.992
where: short stacking energy: -106.323
Base-Backbone interact. energy: 2.832
local terms energy: -138.237018
where:
bonds (distance) C4'-P energy: -39.466
bonds (distance) P-C4' energy: -39.522
flat angles C4'-P-C4' energy: -31.654
flat angles P-C4'-P energy: -19.093
tors. eta vs tors. theta energy: -8.503
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: 6
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -754.477876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.477876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.477876 (E_RNA)
where:
Base-Base interactions energy: -523.854
where: short stacking energy: -219.173
Base-Backbone interact. energy: -2.175
local terms energy: -228.448867
where:
bonds (distance) C4'-P energy: -44.424
bonds (distance) P-C4' energy: -41.746
flat angles C4'-P-C4' energy: -52.357
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -64.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -759.274395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.274395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.274395 (E_RNA)
where:
Base-Base interactions energy: -543.040
where: short stacking energy: -206.398
Base-Backbone interact. energy: -0.974
local terms energy: -215.260319
where:
bonds (distance) C4'-P energy: -44.834
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -51.315
flat angles P-C4'-P energy: -20.275
tors. eta vs tors. theta energy: -61.739
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: 3, replica: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -687.414510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.414510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.414510 (E_RNA)
where:
Base-Base interactions energy: -460.076
where: short stacking energy: -204.742
Base-Backbone interact. energy: -1.237
local terms energy: -226.101621
where:
bonds (distance) C4'-P energy: -45.957
bonds (distance) P-C4' energy: -44.271
flat angles C4'-P-C4' energy: -49.896
flat angles P-C4'-P energy: -29.798
tors. eta vs tors. theta energy: -56.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -699.398702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.398702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.398702 (E_RNA)
where:
Base-Base interactions energy: -471.596
where: short stacking energy: -203.502
Base-Backbone interact. energy: -1.081
local terms energy: -226.721320
where:
bonds (distance) C4'-P energy: -49.966
bonds (distance) P-C4' energy: -33.018
flat angles C4'-P-C4' energy: -42.923
flat angles P-C4'-P energy: -41.627
tors. eta vs tors. theta energy: -59.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -661.067088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.067088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.067088 (E_RNA)
where:
Base-Base interactions energy: -444.329
where: short stacking energy: -202.953
Base-Backbone interact. energy: -0.995
local terms energy: -215.742592
where:
bonds (distance) C4'-P energy: -32.039
bonds (distance) P-C4' energy: -45.080
flat angles C4'-P-C4' energy: -48.402
flat angles P-C4'-P energy: -38.157
tors. eta vs tors. theta energy: -52.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -555.524154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.524154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.524154 (E_RNA)
where:
Base-Base interactions energy: -364.701
where: short stacking energy: -183.687
Base-Backbone interact. energy: -0.937
local terms energy: -189.886066
where:
bonds (distance) C4'-P energy: -30.704
bonds (distance) P-C4' energy: -40.449
flat angles C4'-P-C4' energy: -40.844
flat angles P-C4'-P energy: -25.888
tors. eta vs tors. theta energy: -52.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -500.585826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.585826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.585826 (E_RNA)
where:
Base-Base interactions energy: -335.741
where: short stacking energy: -148.201
Base-Backbone interact. energy: -1.624
local terms energy: -163.220173
where:
bonds (distance) C4'-P energy: -39.003
bonds (distance) P-C4' energy: -27.346
flat angles C4'-P-C4' energy: -38.582
flat angles P-C4'-P energy: -31.148
tors. eta vs tors. theta energy: -27.142
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: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -344.586753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.586753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.586753 (E_RNA)
where:
Base-Base interactions energy: -177.709
where: short stacking energy: -101.201
Base-Backbone interact. energy: 1.825
local terms energy: -168.703148
where:
bonds (distance) C4'-P energy: -37.882
bonds (distance) P-C4' energy: -45.632
flat angles C4'-P-C4' energy: -45.843
flat angles P-C4'-P energy: -25.244
tors. eta vs tors. theta energy: -14.102
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: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -311.738406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.738406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.738406 (E_RNA)
where:
Base-Base interactions energy: -179.648
where: short stacking energy: -83.124
Base-Backbone interact. energy: -0.360
local terms energy: -131.730279
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -38.936
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -275.447658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.447658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.447658 (E_RNA)
where:
Base-Base interactions energy: -140.974
where: short stacking energy: -86.228
Base-Backbone interact. energy: -0.757
local terms energy: -133.716807
where:
bonds (distance) C4'-P energy: -39.145
bonds (distance) P-C4' energy: -36.581
flat angles C4'-P-C4' energy: -37.742
flat angles P-C4'-P energy: -18.156
tors. eta vs tors. theta energy: -2.092
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: 1, replica: 6
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -746.283792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.283792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.283792 (E_RNA)
where:
Base-Base interactions energy: -507.185
where: short stacking energy: -232.030
Base-Backbone interact. energy: -1.645
local terms energy: -237.453345
where:
bonds (distance) C4'-P energy: -45.023
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -47.692
flat angles P-C4'-P energy: -31.066
tors. eta vs tors. theta energy: -68.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -735.800619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.800619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.800619 (E_RNA)
where:
Base-Base interactions energy: -515.618
where: short stacking energy: -221.027
Base-Backbone interact. energy: 1.419
local terms energy: -221.601332
where:
bonds (distance) C4'-P energy: -37.452
bonds (distance) P-C4' energy: -33.687
flat angles C4'-P-C4' energy: -47.264
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -69.613
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: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -685.449520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.449520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.449520 (E_RNA)
where:
Base-Base interactions energy: -464.057
where: short stacking energy: -205.890
Base-Backbone interact. energy: -1.404
local terms energy: -219.988428
where:
bonds (distance) C4'-P energy: -42.987
bonds (distance) P-C4' energy: -36.757
flat angles C4'-P-C4' energy: -49.905
flat angles P-C4'-P energy: -38.775
tors. eta vs tors. theta energy: -51.564
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: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -677.582609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.582609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.582609 (E_RNA)
where:
Base-Base interactions energy: -449.251
where: short stacking energy: -203.408
Base-Backbone interact. energy: -1.967
local terms energy: -226.364596
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -41.531
flat angles C4'-P-C4' energy: -49.146
flat angles P-C4'-P energy: -31.607
tors. eta vs tors. theta energy: -62.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -657.778789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.778789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.778789 (E_RNA)
where:
Base-Base interactions energy: -465.671
where: short stacking energy: -222.447
Base-Backbone interact. energy: -2.079
local terms energy: -190.028802
where:
bonds (distance) C4'-P energy: -27.321
bonds (distance) P-C4' energy: -33.704
flat angles C4'-P-C4' energy: -39.619
flat angles P-C4'-P energy: -26.754
tors. eta vs tors. theta energy: -62.630
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: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -605.247936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.247936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.247936 (E_RNA)
where:
Base-Base interactions energy: -400.843
where: short stacking energy: -183.163
Base-Backbone interact. energy: -1.054
local terms energy: -203.350451
where:
bonds (distance) C4'-P energy: -36.628
bonds (distance) P-C4' energy: -43.775
flat angles C4'-P-C4' energy: -42.717
flat angles P-C4'-P energy: -29.813
tors. eta vs tors. theta energy: -50.417
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: 7, replica: 7
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -534.144853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.144853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.144853 (E_RNA)
where:
Base-Base interactions energy: -349.632
where: short stacking energy: -169.683
Base-Backbone interact. energy: -0.924
local terms energy: -183.589751
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -41.677
flat angles C4'-P-C4' energy: -41.477
flat angles P-C4'-P energy: -25.768
tors. eta vs tors. theta energy: -34.982
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: 8, replica: 10
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -319.872290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.872290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.872290 (E_RNA)
where:
Base-Base interactions energy: -176.358
where: short stacking energy: -111.726
Base-Backbone interact. energy: -2.113
local terms energy: -141.401355
where:
bonds (distance) C4'-P energy: -36.726
bonds (distance) P-C4' energy: -44.621
flat angles C4'-P-C4' energy: -27.828
flat angles P-C4'-P energy: -24.616
tors. eta vs tors. theta energy: -7.610
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: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -315.195647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.195647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.195647 (E_RNA)
where:
Base-Base interactions energy: -182.616
where: short stacking energy: -109.211
Base-Backbone interact. energy: -1.304
local terms energy: -131.275766
where:
bonds (distance) C4'-P energy: -31.342
bonds (distance) P-C4' energy: -34.882
flat angles C4'-P-C4' energy: -28.299
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -241.366322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.366322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.366322 (E_RNA)
where:
Base-Base interactions energy: -121.469
where: short stacking energy: -79.900
Base-Backbone interact. energy: -0.527
local terms energy: -119.370309
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -31.199
flat angles C4'-P-C4' energy: -32.102
flat angles P-C4'-P energy: -26.416
tors. eta vs tors. theta energy: -1.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -768.212823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.212823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.212823 (E_RNA)
where:
Base-Base interactions energy: -519.672
where: short stacking energy: -232.395
Base-Backbone interact. energy: -1.129
local terms energy: -247.411306
where:
bonds (distance) C4'-P energy: -43.021
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -52.204
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -69.293
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: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -723.141967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.141967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.141967 (E_RNA)
where:
Base-Base interactions energy: -485.994
where: short stacking energy: -206.892
Base-Backbone interact. energy: -2.106
local terms energy: -235.042086
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -48.447
flat angles C4'-P-C4' energy: -46.720
flat angles P-C4'-P energy: -31.175
tors. eta vs tors. theta energy: -64.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -673.707228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.707228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.707228 (E_RNA)
where:
Base-Base interactions energy: -463.804
where: short stacking energy: -201.403
Base-Backbone interact. energy: -0.144
local terms energy: -209.759894
where:
bonds (distance) C4'-P energy: -43.482
bonds (distance) P-C4' energy: -37.103
flat angles C4'-P-C4' energy: -43.691
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: -53.929
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: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -676.331040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.331040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.331040 (E_RNA)
where:
Base-Base interactions energy: -455.005
where: short stacking energy: -204.451
Base-Backbone interact. energy: -1.195
local terms energy: -220.131125
where:
bonds (distance) C4'-P energy: -35.559
bonds (distance) P-C4' energy: -45.942
flat angles C4'-P-C4' energy: -50.676
flat angles P-C4'-P energy: -27.096
tors. eta vs tors. theta energy: -60.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -646.611065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.611065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.611065 (E_RNA)
where:
Base-Base interactions energy: -432.109
where: short stacking energy: -207.045
Base-Backbone interact. energy: -0.491
local terms energy: -214.010457
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -43.806
flat angles C4'-P-C4' energy: -48.602
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -60.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -619.564089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.564089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.564089 (E_RNA)
where:
Base-Base interactions energy: -414.489
where: short stacking energy: -182.988
Base-Backbone interact. energy: -0.402
local terms energy: -204.673374
where:
bonds (distance) C4'-P energy: -35.919
bonds (distance) P-C4' energy: -48.232
flat angles C4'-P-C4' energy: -47.972
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -47.440
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: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -537.131783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.131783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.131783 (E_RNA)
where:
Base-Base interactions energy: -356.894
where: short stacking energy: -164.755
Base-Backbone interact. energy: 1.399
local terms energy: -181.636513
where:
bonds (distance) C4'-P energy: -37.928
bonds (distance) P-C4' energy: -45.312
flat angles C4'-P-C4' energy: -40.243
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -42.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -337.794482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.794482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.794482 (E_RNA)
where:
Base-Base interactions energy: -197.269
where: short stacking energy: -109.923
Base-Backbone interact. energy: -0.265
local terms energy: -140.259714
where:
bonds (distance) C4'-P energy: -35.959
bonds (distance) P-C4' energy: -34.063
flat angles C4'-P-C4' energy: -40.010
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -15.401
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: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -253.036794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.036794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.036794 (E_RNA)
where:
Base-Base interactions energy: -113.936
where: short stacking energy: -70.968
Base-Backbone interact. energy: -1.199
local terms energy: -137.902076
where:
bonds (distance) C4'-P energy: -39.423
bonds (distance) P-C4' energy: -38.886
flat angles C4'-P-C4' energy: -30.997
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -1.538
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: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -289.361142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.361142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.361142 (E_RNA)
where:
Base-Base interactions energy: -159.589
where: short stacking energy: -92.594
Base-Backbone interact. energy: -0.379
local terms energy: -129.392646
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -38.247
flat angles C4'-P-C4' energy: -29.452
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -766.110543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.110543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.110543 (E_RNA)
where:
Base-Base interactions energy: -515.010
where: short stacking energy: -227.119
Base-Backbone interact. energy: -0.385
local terms energy: -250.715633
where:
bonds (distance) C4'-P energy: -38.598
bonds (distance) P-C4' energy: -50.206
flat angles C4'-P-C4' energy: -52.184
flat angles P-C4'-P energy: -41.808
tors. eta vs tors. theta energy: -67.920
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: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -741.742623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.742623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.742623 (E_RNA)
where:
Base-Base interactions energy: -509.388
where: short stacking energy: -215.081
Base-Backbone interact. energy: -0.070
local terms energy: -232.284661
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -50.315
flat angles C4'-P-C4' energy: -49.296
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -61.800
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: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -695.901135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.901135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.901135 (E_RNA)
where:
Base-Base interactions energy: -467.981
where: short stacking energy: -209.288
Base-Backbone interact. energy: -0.895
local terms energy: -227.024619
where:
bonds (distance) C4'-P energy: -41.123
bonds (distance) P-C4' energy: -47.100
flat angles C4'-P-C4' energy: -47.355
flat angles P-C4'-P energy: -31.915
tors. eta vs tors. theta energy: -59.531
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: 4, replica: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -691.700084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.700084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.700084 (E_RNA)
where:
Base-Base interactions energy: -476.013
where: short stacking energy: -206.004
Base-Backbone interact. energy: -0.946
local terms energy: -214.741393
where:
bonds (distance) C4'-P energy: -44.543
bonds (distance) P-C4' energy: -42.400
flat angles C4'-P-C4' energy: -39.750
flat angles P-C4'-P energy: -34.729
tors. eta vs tors. theta energy: -53.318
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: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -596.544885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.544885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.544885 (E_RNA)
where:
Base-Base interactions energy: -400.219
where: short stacking energy: -191.429
Base-Backbone interact. energy: -0.264
local terms energy: -196.061756
where:
bonds (distance) C4'-P energy: -30.916
bonds (distance) P-C4' energy: -35.266
flat angles C4'-P-C4' energy: -48.428
flat angles P-C4'-P energy: -28.362
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: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -621.962620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.962620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.962620 (E_RNA)
where:
Base-Base interactions energy: -422.644
where: short stacking energy: -197.055
Base-Backbone interact. energy: 1.675
local terms energy: -200.994388
where:
bonds (distance) C4'-P energy: -34.612
bonds (distance) P-C4' energy: -34.511
flat angles C4'-P-C4' energy: -45.116
flat angles P-C4'-P energy: -33.930
tors. eta vs tors. theta energy: -52.826
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: 7, replica: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -546.521079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.521079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.521079 (E_RNA)
where:
Base-Base interactions energy: -363.952
where: short stacking energy: -164.236
Base-Backbone interact. energy: 1.061
local terms energy: -183.629571
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -45.919
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -35.836
tors. eta vs tors. theta energy: -36.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -328.357763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.357763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.357763 (E_RNA)
where:
Base-Base interactions energy: -171.484
where: short stacking energy: -103.844
Base-Backbone interact. energy: 5.188
local terms energy: -162.061076
where:
bonds (distance) C4'-P energy: -46.877
bonds (distance) P-C4' energy: -32.063
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -29.830
tors. eta vs tors. theta energy: -15.512
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: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -226.089666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.089666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.089666 (E_RNA)
where:
Base-Base interactions energy: -85.076
where: short stacking energy: -77.735
Base-Backbone interact. energy: 1.151
local terms energy: -142.164896
where:
bonds (distance) C4'-P energy: -37.678
bonds (distance) P-C4' energy: -45.026
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -22.231
tors. eta vs tors. theta energy: -12.421
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: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -296.832846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.832846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.832846 (E_RNA)
where:
Base-Base interactions energy: -167.711
where: short stacking energy: -83.596
Base-Backbone interact. energy: -2.726
local terms energy: -126.396106
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -47.582
flat angles C4'-P-C4' energy: -35.486
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: 2.469
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: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -752.809537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.809537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.809537 (E_RNA)
where:
Base-Base interactions energy: -501.073
where: short stacking energy: -218.296
Base-Backbone interact. energy: -2.453
local terms energy: -249.283242
where:
bonds (distance) C4'-P energy: -40.363
bonds (distance) P-C4' energy: -50.896
flat angles C4'-P-C4' energy: -55.582
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: -64.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -730.368588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.368588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.368588 (E_RNA)
where:
Base-Base interactions energy: -518.103
where: short stacking energy: -219.307
Base-Backbone interact. energy: -1.577
local terms energy: -210.688818
where:
bonds (distance) C4'-P energy: -38.210
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -46.891
flat angles P-C4'-P energy: -23.555
tors. eta vs tors. theta energy: -69.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -710.890115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.890115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.890115 (E_RNA)
where:
Base-Base interactions energy: -491.850
where: short stacking energy: -218.836
Base-Backbone interact. energy: 2.768
local terms energy: -221.807710
where:
bonds (distance) C4'-P energy: -41.548
bonds (distance) P-C4' energy: -42.939
flat angles C4'-P-C4' energy: -45.626
flat angles P-C4'-P energy: -34.667
tors. eta vs tors. theta energy: -57.027
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: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -699.915087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.915087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.915087 (E_RNA)
where:
Base-Base interactions energy: -480.620
where: short stacking energy: -209.145
Base-Backbone interact. energy: 0.544
local terms energy: -219.839297
where:
bonds (distance) C4'-P energy: -40.505
bonds (distance) P-C4' energy: -46.274
flat angles C4'-P-C4' energy: -46.200
flat angles P-C4'-P energy: -30.040
tors. eta vs tors. theta energy: -56.820
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: 5, replica: 1
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -617.118905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.118905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.118905 (E_RNA)
where:
Base-Base interactions energy: -422.665
where: short stacking energy: -197.778
Base-Backbone interact. energy: 0.388
local terms energy: -194.842082
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -35.987
flat angles C4'-P-C4' energy: -40.416
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -55.420
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: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -592.605442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.605442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.605442 (E_RNA)
where:
Base-Base interactions energy: -381.250
where: short stacking energy: -183.484
Base-Backbone interact. energy: -0.611
local terms energy: -210.744612
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -43.968
flat angles C4'-P-C4' energy: -42.017
flat angles P-C4'-P energy: -30.543
tors. eta vs tors. theta energy: -51.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -506.289384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.289384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.289384 (E_RNA)
where:
Base-Base interactions energy: -346.852
where: short stacking energy: -163.476
Base-Backbone interact. energy: -0.543
local terms energy: -158.893856
where:
bonds (distance) C4'-P energy: -27.743
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -41.579
flat angles P-C4'-P energy: -29.457
tors. eta vs tors. theta energy: -28.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -316.544167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.544167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.544167 (E_RNA)
where:
Base-Base interactions energy: -166.763
where: short stacking energy: -99.263
Base-Backbone interact. energy: -1.577
local terms energy: -148.204394
where:
bonds (distance) C4'-P energy: -37.218
bonds (distance) P-C4' energy: -40.293
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -10.117
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: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -295.449677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.449677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.449677 (E_RNA)
where:
Base-Base interactions energy: -154.297
where: short stacking energy: -72.179
Base-Backbone interact. energy: 2.089
local terms energy: -143.241560
where:
bonds (distance) C4'-P energy: -43.668
bonds (distance) P-C4' energy: -38.040
flat angles C4'-P-C4' energy: -33.820
flat angles P-C4'-P energy: -28.821
tors. eta vs tors. theta energy: 1.107
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: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -195.319653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.319653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.319653 (E_RNA)
where:
Base-Base interactions energy: -76.343
where: short stacking energy: -49.953
Base-Backbone interact. energy: -0.882
local terms energy: -118.094808
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: 2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -764.993875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.993875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.993875 (E_RNA)
where:
Base-Base interactions energy: -530.844
where: short stacking energy: -224.562
Base-Backbone interact. energy: -1.439
local terms energy: -232.710679
where:
bonds (distance) C4'-P energy: -46.030
bonds (distance) P-C4' energy: -41.781
flat angles C4'-P-C4' energy: -46.081
flat angles P-C4'-P energy: -32.951
tors. eta vs tors. theta energy: -65.867
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: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -739.354424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.354424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.354424 (E_RNA)
where:
Base-Base interactions energy: -500.977
where: short stacking energy: -211.374
Base-Backbone interact. energy: -0.728
local terms energy: -237.649272
where:
bonds (distance) C4'-P energy: -42.895
bonds (distance) P-C4' energy: -45.312
flat angles C4'-P-C4' energy: -49.520
flat angles P-C4'-P energy: -38.289
tors. eta vs tors. theta energy: -61.634
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: 3, replica: 5
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -715.179458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.179458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.179458 (E_RNA)
where:
Base-Base interactions energy: -486.049
where: short stacking energy: -208.627
Base-Backbone interact. energy: -0.748
local terms energy: -228.383354
where:
bonds (distance) C4'-P energy: -42.196
bonds (distance) P-C4' energy: -45.270
flat angles C4'-P-C4' energy: -42.628
flat angles P-C4'-P energy: -33.583
tors. eta vs tors. theta energy: -64.707
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: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -677.484918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.484918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.484918 (E_RNA)
where:
Base-Base interactions energy: -468.803
where: short stacking energy: -210.340
Base-Backbone interact. energy: 0.829
local terms energy: -209.510875
where:
bonds (distance) C4'-P energy: -41.963
bonds (distance) P-C4' energy: -38.011
flat angles C4'-P-C4' energy: -45.334
flat angles P-C4'-P energy: -31.820
tors. eta vs tors. theta energy: -52.384
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: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -612.933810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.933810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.933810 (E_RNA)
where:
Base-Base interactions energy: -409.741
where: short stacking energy: -194.822
Base-Backbone interact. energy: -0.302
local terms energy: -202.891465
where:
bonds (distance) C4'-P energy: -39.616
bonds (distance) P-C4' energy: -33.040
flat angles C4'-P-C4' energy: -45.709
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -53.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -541.803196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.803196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.803196 (E_RNA)
where:
Base-Base interactions energy: -348.176
where: short stacking energy: -153.210
Base-Backbone interact. energy: -1.311
local terms energy: -192.316585
where:
bonds (distance) C4'-P energy: -38.965
bonds (distance) P-C4' energy: -35.850
flat angles C4'-P-C4' energy: -44.066
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: -42.243
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: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -495.458663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.458663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.458663 (E_RNA)
where:
Base-Base interactions energy: -322.781
where: short stacking energy: -156.013
Base-Backbone interact. energy: 0.418
local terms energy: -173.095773
where:
bonds (distance) C4'-P energy: -40.457
bonds (distance) P-C4' energy: -38.742
flat angles C4'-P-C4' energy: -38.455
flat angles P-C4'-P energy: -17.779
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: 8, replica: 10
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -362.276595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.276595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.276595 (E_RNA)
where:
Base-Base interactions energy: -206.740
where: short stacking energy: -97.291
Base-Backbone interact. energy: -1.060
local terms energy: -154.476562
where:
bonds (distance) C4'-P energy: -37.821
bonds (distance) P-C4' energy: -37.687
flat angles C4'-P-C4' energy: -39.873
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -308.577455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.577455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.577455 (E_RNA)
where:
Base-Base interactions energy: -174.320
where: short stacking energy: -98.732
Base-Backbone interact. energy: -0.111
local terms energy: -134.146767
where:
bonds (distance) C4'-P energy: -34.287
bonds (distance) P-C4' energy: -36.658
flat angles C4'-P-C4' energy: -40.823
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -7.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -200.380683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.380683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.380683 (E_RNA)
where:
Base-Base interactions energy: -73.744
where: short stacking energy: -73.702
Base-Backbone interact. energy: 0.776
local terms energy: -127.413166
where:
bonds (distance) C4'-P energy: -33.057
bonds (distance) P-C4' energy: -43.630
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -6.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -763.226354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.226354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.226354 (E_RNA)
where:
Base-Base interactions energy: -530.280
where: short stacking energy: -225.268
Base-Backbone interact. energy: -0.996
local terms energy: -231.950357
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -43.887
flat angles C4'-P-C4' energy: -50.537
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -68.409
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: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -735.064091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.064091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.064091 (E_RNA)
where:
Base-Base interactions energy: -506.369
where: short stacking energy: -232.415
Base-Backbone interact. energy: -0.968
local terms energy: -227.727054
where:
bonds (distance) C4'-P energy: -38.063
bonds (distance) P-C4' energy: -41.407
flat angles C4'-P-C4' energy: -54.278
flat angles P-C4'-P energy: -30.610
tors. eta vs tors. theta energy: -63.369
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: 3, replica: 5
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -720.672963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.672963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.672963 (E_RNA)
where:
Base-Base interactions energy: -500.193
where: short stacking energy: -219.776
Base-Backbone interact. energy: -1.171
local terms energy: -219.308992
where:
bonds (distance) C4'-P energy: -36.814
bonds (distance) P-C4' energy: -43.874
flat angles C4'-P-C4' energy: -49.522
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -56.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -708.673142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.673142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.673142 (E_RNA)
where:
Base-Base interactions energy: -480.885
where: short stacking energy: -210.695
Base-Backbone interact. energy: -1.857
local terms energy: -225.930992
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -43.998
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -55.917
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: 274
Temperature: 1.100000
Total energy: -566.292695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.292695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.292695 (E_RNA)
where:
Base-Base interactions energy: -364.566
where: short stacking energy: -168.883
Base-Backbone interact. energy: -0.712
local terms energy: -201.014720
where:
bonds (distance) C4'-P energy: -38.437
bonds (distance) P-C4' energy: -36.566
flat angles C4'-P-C4' energy: -47.027
flat angles P-C4'-P energy: -28.640
tors. eta vs tors. theta energy: -50.345
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: 6, replica: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -597.806474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.806474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.806474 (E_RNA)
where:
Base-Base interactions energy: -399.943
where: short stacking energy: -183.726
Base-Backbone interact. energy: -0.394
local terms energy: -197.469647
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -42.679
flat angles P-C4'-P energy: -20.876
tors. eta vs tors. theta energy: -57.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -527.782920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.782920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.782920 (E_RNA)
where:
Base-Base interactions energy: -362.058
where: short stacking energy: -158.656
Base-Backbone interact. energy: 0.177
local terms energy: -165.901854
where:
bonds (distance) C4'-P energy: -35.609
bonds (distance) P-C4' energy: -35.487
flat angles C4'-P-C4' energy: -34.663
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -46.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -380.935886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.935886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.935886 (E_RNA)
where:
Base-Base interactions energy: -238.132
where: short stacking energy: -108.015
Base-Backbone interact. energy: -1.083
local terms energy: -141.720838
where:
bonds (distance) C4'-P energy: -31.851
bonds (distance) P-C4' energy: -36.808
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -19.658
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: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -326.926525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.926525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.926525 (E_RNA)
where:
Base-Base interactions energy: -177.821
where: short stacking energy: -80.566
Base-Backbone interact. energy: 2.839
local terms energy: -151.945411
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -36.974
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -12.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -204.634148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.634148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.634148 (E_RNA)
where:
Base-Base interactions energy: -86.708
where: short stacking energy: -78.825
Base-Backbone interact. energy: -0.265
local terms energy: -117.660918
where:
bonds (distance) C4'-P energy: -22.937
bonds (distance) P-C4' energy: -42.901
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -8.312
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: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -753.413489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.413489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.413489 (E_RNA)
where:
Base-Base interactions energy: -510.399
where: short stacking energy: -218.188
Base-Backbone interact. energy: -0.955
local terms energy: -242.059482
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -39.945
flat angles C4'-P-C4' energy: -52.000
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: -65.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -723.654339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.654339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.654339 (E_RNA)
where:
Base-Base interactions energy: -501.191
where: short stacking energy: -203.827
Base-Backbone interact. energy: 1.863
local terms energy: -224.326983
where:
bonds (distance) C4'-P energy: -41.574
bonds (distance) P-C4' energy: -44.436
flat angles C4'-P-C4' energy: -47.818
flat angles P-C4'-P energy: -28.507
tors. eta vs tors. theta energy: -61.991
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: 5
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -726.958080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.958080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.958080 (E_RNA)
where:
Base-Base interactions energy: -492.504
where: short stacking energy: -209.263
Base-Backbone interact. energy: -1.715
local terms energy: -232.739373
where:
bonds (distance) C4'-P energy: -46.523
bonds (distance) P-C4' energy: -42.586
flat angles C4'-P-C4' energy: -49.278
flat angles P-C4'-P energy: -31.119
tors. eta vs tors. theta energy: -63.233
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: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -695.438197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.438197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.438197 (E_RNA)
where:
Base-Base interactions energy: -479.552
where: short stacking energy: -211.259
Base-Backbone interact. energy: 0.126
local terms energy: -216.011754
where:
bonds (distance) C4'-P energy: -37.831
bonds (distance) P-C4' energy: -38.244
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: -60.033
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: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -578.588770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.588770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.588770 (E_RNA)
where:
Base-Base interactions energy: -397.591
where: short stacking energy: -186.643
Base-Backbone interact. energy: -1.207
local terms energy: -179.790644
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -38.556
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -44.851
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: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -626.308495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.308495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.308495 (E_RNA)
where:
Base-Base interactions energy: -443.094
where: short stacking energy: -192.204
Base-Backbone interact. energy: 0.930
local terms energy: -184.144848
where:
bonds (distance) C4'-P energy: -24.957
bonds (distance) P-C4' energy: -37.067
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -51.087
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: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -519.199913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.199913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.199913 (E_RNA)
where:
Base-Base interactions energy: -327.250
where: short stacking energy: -157.569
Base-Backbone interact. energy: -0.490
local terms energy: -191.459597
where:
bonds (distance) C4'-P energy: -42.892
bonds (distance) P-C4' energy: -42.207
flat angles C4'-P-C4' energy: -38.597
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -37.665
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: 8, replica: 10
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -370.412910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.412910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.412910 (E_RNA)
where:
Base-Base interactions energy: -214.307
where: short stacking energy: -116.913
Base-Backbone interact. energy: -0.277
local terms energy: -155.829144
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -31.195
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -20.857
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: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -359.970844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.970844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.970844 (E_RNA)
where:
Base-Base interactions energy: -213.258
where: short stacking energy: -108.170
Base-Backbone interact. energy: -2.051
local terms energy: -144.661900
where:
bonds (distance) C4'-P energy: -40.201
bonds (distance) P-C4' energy: -43.017
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -16.905
tors. eta vs tors. theta energy: -8.465
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: 275
Temperature: 1.350000
Total energy: -216.047788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.047788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.047788 (E_RNA)
where:
Base-Base interactions energy: -85.982
where: short stacking energy: -53.271
Base-Backbone interact. energy: -1.013
local terms energy: -129.052103
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -46.948
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: 0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -749.781832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.781832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.781832 (E_RNA)
where:
Base-Base interactions energy: -504.541
where: short stacking energy: -214.980
Base-Backbone interact. energy: -0.227
local terms energy: -245.013823
where:
bonds (distance) C4'-P energy: -47.023
bonds (distance) P-C4' energy: -47.304
flat angles C4'-P-C4' energy: -46.577
flat angles P-C4'-P energy: -33.946
tors. eta vs tors. theta energy: -70.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -765.158873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.158873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.158873 (E_RNA)
where:
Base-Base interactions energy: -521.310
where: short stacking energy: -223.462
Base-Backbone interact. energy: -1.420
local terms energy: -242.428385
where:
bonds (distance) C4'-P energy: -47.594
bonds (distance) P-C4' energy: -48.004
flat angles C4'-P-C4' energy: -46.319
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -66.698
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: 3, replica: 5
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -728.904006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.904006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.904006 (E_RNA)
where:
Base-Base interactions energy: -493.313
where: short stacking energy: -214.927
Base-Backbone interact. energy: -1.657
local terms energy: -233.934179
where:
bonds (distance) C4'-P energy: -42.434
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -48.080
flat angles P-C4'-P energy: -26.140
tors. eta vs tors. theta energy: -66.366
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: 4
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -688.334870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.334870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.334870 (E_RNA)
where:
Base-Base interactions energy: -480.996
where: short stacking energy: -195.894
Base-Backbone interact. energy: -0.167
local terms energy: -207.171478
where:
bonds (distance) C4'-P energy: -37.549
bonds (distance) P-C4' energy: -41.866
flat angles C4'-P-C4' energy: -41.920
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -54.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -638.695083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.695083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.695083 (E_RNA)
where:
Base-Base interactions energy: -433.119
where: short stacking energy: -194.980
Base-Backbone interact. energy: -0.519
local terms energy: -205.057318
where:
bonds (distance) C4'-P energy: -36.260
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -21.497
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: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -555.234784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.234784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.234784 (E_RNA)
where:
Base-Base interactions energy: -372.860
where: short stacking energy: -174.548
Base-Backbone interact. energy: -0.649
local terms energy: -181.725921
where:
bonds (distance) C4'-P energy: -36.340
bonds (distance) P-C4' energy: -37.514
flat angles C4'-P-C4' energy: -39.360
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -42.155
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: 8
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -513.400629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.400629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.400629 (E_RNA)
where:
Base-Base interactions energy: -326.779
where: short stacking energy: -164.728
Base-Backbone interact. energy: -0.414
local terms energy: -186.206960
where:
bonds (distance) C4'-P energy: -39.471
bonds (distance) P-C4' energy: -38.551
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -25.613
tors. eta vs tors. theta energy: -40.966
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: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -321.780690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.780690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.780690 (E_RNA)
where:
Base-Base interactions energy: -170.321
where: short stacking energy: -90.369
Base-Backbone interact. energy: 1.996
local terms energy: -153.455670
where:
bonds (distance) C4'-P energy: -37.869
bonds (distance) P-C4' energy: -41.321
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -25.879
tors. eta vs tors. theta energy: -16.135
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: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -367.288769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.288769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.288769 (E_RNA)
where:
Base-Base interactions energy: -241.114
where: short stacking energy: -106.774
Base-Backbone interact. energy: -0.665
local terms energy: -125.510002
where:
bonds (distance) C4'-P energy: -24.270
bonds (distance) P-C4' energy: -39.600
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -14.704
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: 9
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -209.677899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.677899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.677899 (E_RNA)
where:
Base-Base interactions energy: -67.450
where: short stacking energy: -56.991
Base-Backbone interact. energy: -1.252
local terms energy: -140.975948
where:
bonds (distance) C4'-P energy: -37.708
bonds (distance) P-C4' energy: -40.412
flat angles C4'-P-C4' energy: -32.111
flat angles P-C4'-P energy: -27.415
tors. eta vs tors. theta energy: -3.330
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: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -744.245237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.245237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.245237 (E_RNA)
where:
Base-Base interactions energy: -507.600
where: short stacking energy: -216.214
Base-Backbone interact. energy: 0.361
local terms energy: -237.006947
where:
bonds (distance) C4'-P energy: -42.829
bonds (distance) P-C4' energy: -44.783
flat angles C4'-P-C4' energy: -48.292
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: -64.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -737.910310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.910310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.910310 (E_RNA)
where:
Base-Base interactions energy: -518.601
where: short stacking energy: -232.363
Base-Backbone interact. energy: -1.068
local terms energy: -218.241472
where:
bonds (distance) C4'-P energy: -34.467
bonds (distance) P-C4' energy: -41.186
flat angles C4'-P-C4' energy: -47.428
flat angles P-C4'-P energy: -27.198
tors. eta vs tors. theta energy: -67.963
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: 5
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -736.705897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.705897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.705897 (E_RNA)
where:
Base-Base interactions energy: -516.550
where: short stacking energy: -221.565
Base-Backbone interact. energy: -0.143
local terms energy: -220.013123
where:
bonds (distance) C4'-P energy: -38.588
bonds (distance) P-C4' energy: -41.850
flat angles C4'-P-C4' energy: -49.158
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: -63.665
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: 4
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -688.871751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.871751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.871751 (E_RNA)
where:
Base-Base interactions energy: -474.224
where: short stacking energy: -220.170
Base-Backbone interact. energy: -1.321
local terms energy: -213.326527
where:
bonds (distance) C4'-P energy: -33.064
bonds (distance) P-C4' energy: -36.838
flat angles C4'-P-C4' energy: -43.747
flat angles P-C4'-P energy: -36.134
tors. eta vs tors. theta energy: -63.543
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: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -627.411253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.411253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.411253 (E_RNA)
where:
Base-Base interactions energy: -429.714
where: short stacking energy: -212.598
Base-Backbone interact. energy: 1.445
local terms energy: -199.141481
where:
bonds (distance) C4'-P energy: -29.310
bonds (distance) P-C4' energy: -36.388
flat angles C4'-P-C4' energy: -46.713
flat angles P-C4'-P energy: -32.692
tors. eta vs tors. theta energy: -54.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -536.246137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.246137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.246137 (E_RNA)
where:
Base-Base interactions energy: -347.599
where: short stacking energy: -164.709
Base-Backbone interact. energy: -1.001
local terms energy: -187.645589
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -41.682
flat angles C4'-P-C4' energy: -45.353
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -39.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -516.388139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.388139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.388139 (E_RNA)
where:
Base-Base interactions energy: -338.100
where: short stacking energy: -153.070
Base-Backbone interact. energy: -2.660
local terms energy: -175.627727
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -43.065
flat angles C4'-P-C4' energy: -38.257
flat angles P-C4'-P energy: -27.158
tors. eta vs tors. theta energy: -33.167
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: 3
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -398.997235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.997235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.997235 (E_RNA)
where:
Base-Base interactions energy: -250.152
where: short stacking energy: -120.666
Base-Backbone interact. energy: -0.353
local terms energy: -148.492219
where:
bonds (distance) C4'-P energy: -27.532
bonds (distance) P-C4' energy: -37.900
flat angles C4'-P-C4' energy: -33.938
flat angles P-C4'-P energy: -21.691
tors. eta vs tors. theta energy: -27.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -319.751872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.751872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.751872 (E_RNA)
where:
Base-Base interactions energy: -171.767
where: short stacking energy: -89.353
Base-Backbone interact. energy: 0.600
local terms energy: -148.584980
where:
bonds (distance) C4'-P energy: -39.127
bonds (distance) P-C4' energy: -38.653
flat angles C4'-P-C4' energy: -27.440
flat angles P-C4'-P energy: -24.659
tors. eta vs tors. theta energy: -18.705
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: 9
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -195.066114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.066114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.066114 (E_RNA)
where:
Base-Base interactions energy: -67.938
where: short stacking energy: -58.509
Base-Backbone interact. energy: 2.598
local terms energy: -129.725896
where:
bonds (distance) C4'-P energy: -35.982
bonds (distance) P-C4' energy: -39.057
flat angles C4'-P-C4' energy: -26.928
flat angles P-C4'-P energy: -23.329
tors. eta vs tors. theta energy: -4.429
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: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -749.196369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.196369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.196369 (E_RNA)
where:
Base-Base interactions energy: -516.789
where: short stacking energy: -224.660
Base-Backbone interact. energy: -1.856
local terms energy: -230.551799
where:
bonds (distance) C4'-P energy: -42.765
bonds (distance) P-C4' energy: -46.890
flat angles C4'-P-C4' energy: -41.534
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: -64.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -746.306961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.306961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.306961 (E_RNA)
where:
Base-Base interactions energy: -508.451
where: short stacking energy: -220.593
Base-Backbone interact. energy: -0.960
local terms energy: -236.895504
where:
bonds (distance) C4'-P energy: -41.501
bonds (distance) P-C4' energy: -45.816
flat angles C4'-P-C4' energy: -53.265
flat angles P-C4'-P energy: -35.216
tors. eta vs tors. theta energy: -61.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -707.757666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.757666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.757666 (E_RNA)
where:
Base-Base interactions energy: -471.814
where: short stacking energy: -203.812
Base-Backbone interact. energy: -0.023
local terms energy: -235.921257
where:
bonds (distance) C4'-P energy: -43.441
bonds (distance) P-C4' energy: -46.527
flat angles C4'-P-C4' energy: -49.497
flat angles P-C4'-P energy: -34.554
tors. eta vs tors. theta energy: -61.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -710.994020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.994020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.994020 (E_RNA)
where:
Base-Base interactions energy: -499.162
where: short stacking energy: -216.892
Base-Backbone interact. energy: -1.562
local terms energy: -210.269704
where:
bonds (distance) C4'-P energy: -36.178
bonds (distance) P-C4' energy: -47.814
flat angles C4'-P-C4' energy: -43.328
flat angles P-C4'-P energy: -22.938
tors. eta vs tors. theta energy: -60.011
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: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -625.400297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.400297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.400297 (E_RNA)
where:
Base-Base interactions energy: -413.828
where: short stacking energy: -198.591
Base-Backbone interact. energy: -0.153
local terms energy: -211.420059
where:
bonds (distance) C4'-P energy: -42.885
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -44.268
flat angles P-C4'-P energy: -29.250
tors. eta vs tors. theta energy: -56.036
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: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -517.262954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.262954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.262954 (E_RNA)
where:
Base-Base interactions energy: -334.250
where: short stacking energy: -164.495
Base-Backbone interact. energy: -0.227
local terms energy: -182.785616
where:
bonds (distance) C4'-P energy: -38.531
bonds (distance) P-C4' energy: -39.082
flat angles C4'-P-C4' energy: -45.459
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -37.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -532.593862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.593862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.593862 (E_RNA)
where:
Base-Base interactions energy: -346.778
where: short stacking energy: -149.069
Base-Backbone interact. energy: 3.112
local terms energy: -188.927890
where:
bonds (distance) C4'-P energy: -42.137
bonds (distance) P-C4' energy: -43.766
flat angles C4'-P-C4' energy: -41.928
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -37.524
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: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -392.034521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.034521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.034521 (E_RNA)
where:
Base-Base interactions energy: -239.504
where: short stacking energy: -111.044
Base-Backbone interact. energy: 0.545
local terms energy: -153.075250
where:
bonds (distance) C4'-P energy: -38.013
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -33.335
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: -31.360
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: 278
Temperature: 1.300000
Total energy: -298.182553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.182553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.182553 (E_RNA)
where:
Base-Base interactions energy: -169.460
where: short stacking energy: -98.746
Base-Backbone interact. energy: -0.723
local terms energy: -127.999650
where:
bonds (distance) C4'-P energy: -27.085
bonds (distance) P-C4' energy: -34.040
flat angles C4'-P-C4' energy: -35.485
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -16.953
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: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -198.391832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.391832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.391832 (E_RNA)
where:
Base-Base interactions energy: -66.743
where: short stacking energy: -47.319
Base-Backbone interact. energy: -0.062
local terms energy: -131.586854
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -45.388
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: 8.516
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: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -760.646535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.646535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.646535 (E_RNA)
where:
Base-Base interactions energy: -528.417
where: short stacking energy: -220.664
Base-Backbone interact. energy: -0.863
local terms energy: -231.367213
where:
bonds (distance) C4'-P energy: -42.341
bonds (distance) P-C4' energy: -39.900
flat angles C4'-P-C4' energy: -49.970
flat angles P-C4'-P energy: -36.012
tors. eta vs tors. theta energy: -63.144
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: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -734.388369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.388369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.388369 (E_RNA)
where:
Base-Base interactions energy: -501.751
where: short stacking energy: -211.816
Base-Backbone interact. energy: -0.455
local terms energy: -232.182047
where:
bonds (distance) C4'-P energy: -36.944
bonds (distance) P-C4' energy: -50.048
flat angles C4'-P-C4' energy: -52.991
flat angles P-C4'-P energy: -30.936
tors. eta vs tors. theta energy: -61.262
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: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -723.729344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.729344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.729344 (E_RNA)
where:
Base-Base interactions energy: -494.399
where: short stacking energy: -216.648
Base-Backbone interact. energy: -0.352
local terms energy: -228.977832
where:
bonds (distance) C4'-P energy: -42.895
bonds (distance) P-C4' energy: -46.696
flat angles C4'-P-C4' energy: -45.545
flat angles P-C4'-P energy: -34.291
tors. eta vs tors. theta energy: -59.550
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: 279
Temperature: 1.050000
Total energy: -634.059289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.059289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.059289 (E_RNA)
where:
Base-Base interactions energy: -418.958
where: short stacking energy: -196.382
Base-Backbone interact. energy: 0.375
local terms energy: -215.476169
where:
bonds (distance) C4'-P energy: -37.360
bonds (distance) P-C4' energy: -43.108
flat angles C4'-P-C4' energy: -51.842
flat angles P-C4'-P energy: -31.675
tors. eta vs tors. theta energy: -51.491
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: 4
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -677.920508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.920508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.920508 (E_RNA)
where:
Base-Base interactions energy: -462.994
where: short stacking energy: -199.434
Base-Backbone interact. energy: -1.145
local terms energy: -213.781187
where:
bonds (distance) C4'-P energy: -40.842
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -39.697
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -60.562
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: 6, replica: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -521.902154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.902154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.902154 (E_RNA)
where:
Base-Base interactions energy: -334.138
where: short stacking energy: -156.173
Base-Backbone interact. energy: 0.422
local terms energy: -188.185821
where:
bonds (distance) C4'-P energy: -38.320
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -42.511
flat angles P-C4'-P energy: -26.977
tors. eta vs tors. theta energy: -36.946
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: 7, replica: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -495.354397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.354397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.354397 (E_RNA)
where:
Base-Base interactions energy: -310.457
where: short stacking energy: -145.795
Base-Backbone interact. energy: -0.547
local terms energy: -184.349651
where:
bonds (distance) C4'-P energy: -49.441
bonds (distance) P-C4' energy: -37.817
flat angles C4'-P-C4' energy: -36.701
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: -34.641
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: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -393.892558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.892558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.892558 (E_RNA)
where:
Base-Base interactions energy: -237.091
where: short stacking energy: -118.312
Base-Backbone interact. energy: 5.039
local terms energy: -161.840212
where:
bonds (distance) C4'-P energy: -41.178
bonds (distance) P-C4' energy: -37.174
flat angles C4'-P-C4' energy: -41.068
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -20.556
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: 9, replica: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -297.659100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.659100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.659100 (E_RNA)
where:
Base-Base interactions energy: -163.844
where: short stacking energy: -105.921
Base-Backbone interact. energy: -0.815
local terms energy: -132.999879
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -35.266
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -18.283
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: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -231.661929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.661929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.661929 (E_RNA)
where:
Base-Base interactions energy: -105.581
where: short stacking energy: -70.396
Base-Backbone interact. energy: -0.779
local terms energy: -125.302308
where:
bonds (distance) C4'-P energy: -34.923
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -44.224
flat angles P-C4'-P energy: -4.591
tors. eta vs tors. theta energy: 0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -773.085106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.085106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.085106 (E_RNA)
where:
Base-Base interactions energy: -529.596
where: short stacking energy: -218.295
Base-Backbone interact. energy: -1.110
local terms energy: -242.378835
where:
bonds (distance) C4'-P energy: -51.829
bonds (distance) P-C4' energy: -42.017
flat angles C4'-P-C4' energy: -50.457
flat angles P-C4'-P energy: -34.264
tors. eta vs tors. theta energy: -63.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -728.681123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.681123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.681123 (E_RNA)
where:
Base-Base interactions energy: -497.244
where: short stacking energy: -215.622
Base-Backbone interact. energy: -0.146
local terms energy: -231.291855
where:
bonds (distance) C4'-P energy: -37.640
bonds (distance) P-C4' energy: -44.256
flat angles C4'-P-C4' energy: -50.313
flat angles P-C4'-P energy: -35.136
tors. eta vs tors. theta energy: -63.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -706.492106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.492106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.492106 (E_RNA)
where:
Base-Base interactions energy: -483.232
where: short stacking energy: -213.228
Base-Backbone interact. energy: -0.591
local terms energy: -222.669209
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -44.573
flat angles C4'-P-C4' energy: -46.617
flat angles P-C4'-P energy: -28.943
tors. eta vs tors. theta energy: -61.307
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: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -631.104486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.104486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.104486 (E_RNA)
where:
Base-Base interactions energy: -421.517
where: short stacking energy: -198.292
Base-Backbone interact. energy: -0.445
local terms energy: -209.142650
where:
bonds (distance) C4'-P energy: -44.330
bonds (distance) P-C4' energy: -42.304
flat angles C4'-P-C4' energy: -45.608
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -53.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -678.511925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.511925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.511925 (E_RNA)
where:
Base-Base interactions energy: -450.888
where: short stacking energy: -201.783
Base-Backbone interact. energy: -1.328
local terms energy: -226.296398
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -43.607
flat angles C4'-P-C4' energy: -52.131
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: -60.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -504.123795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.123795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.123795 (E_RNA)
where:
Base-Base interactions energy: -313.730
where: short stacking energy: -150.777
Base-Backbone interact. energy: -1.018
local terms energy: -189.375632
where:
bonds (distance) C4'-P energy: -39.291
bonds (distance) P-C4' energy: -48.859
flat angles C4'-P-C4' energy: -40.804
flat angles P-C4'-P energy: -22.866
tors. eta vs tors. theta energy: -37.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -523.439525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.439525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.439525 (E_RNA)
where:
Base-Base interactions energy: -345.305
where: short stacking energy: -148.772
Base-Backbone interact. energy: 3.810
local terms energy: -181.944432
where:
bonds (distance) C4'-P energy: -42.662
bonds (distance) P-C4' energy: -36.761
flat angles C4'-P-C4' energy: -40.300
flat angles P-C4'-P energy: -30.526
tors. eta vs tors. theta energy: -31.695
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: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -396.821634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.821634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.821634 (E_RNA)
where:
Base-Base interactions energy: -251.677
where: short stacking energy: -118.038
Base-Backbone interact. energy: -0.577
local terms energy: -144.567579
where:
bonds (distance) C4'-P energy: -35.054
bonds (distance) P-C4' energy: -31.307
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -303.573827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.573827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.573827 (E_RNA)
where:
Base-Base interactions energy: -158.949
where: short stacking energy: -94.315
Base-Backbone interact. energy: -0.636
local terms energy: -143.989652
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -30.320
flat angles C4'-P-C4' energy: -42.277
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -15.766
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: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -196.395116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.395116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.395116 (E_RNA)
where:
Base-Base interactions energy: -61.191
where: short stacking energy: -49.163
Base-Backbone interact. energy: -0.273
local terms energy: -134.930903
where:
bonds (distance) C4'-P energy: -41.281
bonds (distance) P-C4' energy: -32.353
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -7.870
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: 1, replica: 6
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -754.964468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.964468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.964468 (E_RNA)
where:
Base-Base interactions energy: -516.291
where: short stacking energy: -210.464
Base-Backbone interact. energy: 0.117
local terms energy: -238.789677
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -46.306
flat angles C4'-P-C4' energy: -51.846
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: -62.711
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: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -733.375334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.375334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.375334 (E_RNA)
where:
Base-Base interactions energy: -504.220
where: short stacking energy: -213.667
Base-Backbone interact. energy: -0.368
local terms energy: -228.787392
where:
bonds (distance) C4'-P energy: -42.259
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -47.323
flat angles P-C4'-P energy: -28.580
tors. eta vs tors. theta energy: -61.890
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: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -715.655478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.655478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.655478 (E_RNA)
where:
Base-Base interactions energy: -496.690
where: short stacking energy: -217.487
Base-Backbone interact. energy: -1.801
local terms energy: -217.164598
where:
bonds (distance) C4'-P energy: -40.663
bonds (distance) P-C4' energy: -46.284
flat angles C4'-P-C4' energy: -36.576
flat angles P-C4'-P energy: -26.889
tors. eta vs tors. theta energy: -66.751
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: 4, replica: 4
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -679.666824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.666824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.666824 (E_RNA)
where:
Base-Base interactions energy: -475.219
where: short stacking energy: -199.673
Base-Backbone interact. energy: 0.571
local terms energy: -205.019035
where:
bonds (distance) C4'-P energy: -35.219
bonds (distance) P-C4' energy: -34.988
flat angles C4'-P-C4' energy: -46.132
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -62.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -635.665418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.665418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.665418 (E_RNA)
where:
Base-Base interactions energy: -421.873
where: short stacking energy: -196.543
Base-Backbone interact. energy: -0.319
local terms energy: -213.474167
where:
bonds (distance) C4'-P energy: -44.974
bonds (distance) P-C4' energy: -35.060
flat angles C4'-P-C4' energy: -43.573
flat angles P-C4'-P energy: -33.106
tors. eta vs tors. theta energy: -56.762
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: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -556.787683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.787683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.787683 (E_RNA)
where:
Base-Base interactions energy: -373.353
where: short stacking energy: -165.644
Base-Backbone interact. energy: -2.038
local terms energy: -181.396904
where:
bonds (distance) C4'-P energy: -31.187
bonds (distance) P-C4' energy: -41.965
flat angles C4'-P-C4' energy: -44.684
flat angles P-C4'-P energy: -18.860
tors. eta vs tors. theta energy: -44.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -473.299292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.299292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.299292 (E_RNA)
where:
Base-Base interactions energy: -297.682
where: short stacking energy: -136.783
Base-Backbone interact. energy: -1.387
local terms energy: -174.230229
where:
bonds (distance) C4'-P energy: -42.829
bonds (distance) P-C4' energy: -38.740
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -22.811
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: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -484.516218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.516218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.516218 (E_RNA)
where:
Base-Base interactions energy: -312.475
where: short stacking energy: -134.464
Base-Backbone interact. energy: -1.292
local terms energy: -170.748704
where:
bonds (distance) C4'-P energy: -44.300
bonds (distance) P-C4' energy: -47.402
flat angles C4'-P-C4' energy: -35.290
flat angles P-C4'-P energy: -18.975
tors. eta vs tors. theta energy: -24.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -313.825742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.825742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.825742 (E_RNA)
where:
Base-Base interactions energy: -181.043
where: short stacking energy: -92.512
Base-Backbone interact. energy: -2.737
local terms energy: -130.045479
where:
bonds (distance) C4'-P energy: -27.866
bonds (distance) P-C4' energy: -28.653
flat angles C4'-P-C4' energy: -38.080
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: -8.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -208.092601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.092601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.092601 (E_RNA)
where:
Base-Base interactions energy: -84.906
where: short stacking energy: -62.687
Base-Backbone interact. energy: -0.133
local terms energy: -123.053041
where:
bonds (distance) C4'-P energy: -36.430
bonds (distance) P-C4' energy: -31.886
flat angles C4'-P-C4' energy: -40.774
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -4.773
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: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -741.461850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.461850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.461850 (E_RNA)
where:
Base-Base interactions energy: -513.018
where: short stacking energy: -212.274
Base-Backbone interact. energy: -0.922
local terms energy: -227.522164
where:
bonds (distance) C4'-P energy: -38.338
bonds (distance) P-C4' energy: -43.058
flat angles C4'-P-C4' energy: -54.158
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: -63.246
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: 6
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -732.520402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.520402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.520402 (E_RNA)
where:
Base-Base interactions energy: -509.061
where: short stacking energy: -216.283
Base-Backbone interact. energy: -2.710
local terms energy: -220.748765
where:
bonds (distance) C4'-P energy: -33.717
bonds (distance) P-C4' energy: -43.215
flat angles C4'-P-C4' energy: -44.484
flat angles P-C4'-P energy: -33.884
tors. eta vs tors. theta energy: -65.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -711.312581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.312581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.312581 (E_RNA)
where:
Base-Base interactions energy: -500.623
where: short stacking energy: -206.315
Base-Backbone interact. energy: -0.469
local terms energy: -210.220619
where:
bonds (distance) C4'-P energy: -40.995
bonds (distance) P-C4' energy: -39.412
flat angles C4'-P-C4' energy: -47.700
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -57.855
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: 4
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -682.015254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.015254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.015254 (E_RNA)
where:
Base-Base interactions energy: -472.162
where: short stacking energy: -201.848
Base-Backbone interact. energy: -1.067
local terms energy: -208.786743
where:
bonds (distance) C4'-P energy: -36.435
bonds (distance) P-C4' energy: -37.733
flat angles C4'-P-C4' energy: -43.334
flat angles P-C4'-P energy: -30.154
tors. eta vs tors. theta energy: -61.130
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: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -621.006238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.006238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.006238 (E_RNA)
where:
Base-Base interactions energy: -415.652
where: short stacking energy: -189.578
Base-Backbone interact. energy: -2.024
local terms energy: -203.329395
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -41.662
flat angles C4'-P-C4' energy: -39.509
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -52.837
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: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -542.558297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.558297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.558297 (E_RNA)
where:
Base-Base interactions energy: -355.954
where: short stacking energy: -164.477
Base-Backbone interact. energy: -2.216
local terms energy: -184.388525
where:
bonds (distance) C4'-P energy: -41.542
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -46.955
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: -38.976
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: 7, replica: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -482.126155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.126155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.126155 (E_RNA)
where:
Base-Base interactions energy: -315.942
where: short stacking energy: -154.272
Base-Backbone interact. energy: -1.407
local terms energy: -164.777181
where:
bonds (distance) C4'-P energy: -25.246
bonds (distance) P-C4' energy: -41.659
flat angles C4'-P-C4' energy: -34.958
flat angles P-C4'-P energy: -26.930
tors. eta vs tors. theta energy: -35.985
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: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -462.035569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.035569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.035569 (E_RNA)
where:
Base-Base interactions energy: -298.496
where: short stacking energy: -147.238
Base-Backbone interact. energy: -0.145
local terms energy: -163.394545
where:
bonds (distance) C4'-P energy: -29.484
bonds (distance) P-C4' energy: -37.286
flat angles C4'-P-C4' energy: -44.760
flat angles P-C4'-P energy: -17.014
tors. eta vs tors. theta energy: -34.850
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: 282
Temperature: 1.300000
Total energy: -355.704123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.704123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.704123 (E_RNA)
where:
Base-Base interactions energy: -203.647
where: short stacking energy: -118.464
Base-Backbone interact. energy: 0.640
local terms energy: -152.697741
where:
bonds (distance) C4'-P energy: -38.273
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -38.173
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -19.443
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: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -210.799867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.799867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.799867 (E_RNA)
where:
Base-Base interactions energy: -89.546
where: short stacking energy: -60.438
Base-Backbone interact. energy: 2.425
local terms energy: -123.678626
where:
bonds (distance) C4'-P energy: -45.193
bonds (distance) P-C4' energy: -43.061
flat angles C4'-P-C4' energy: -34.385
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: 11.084
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: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -743.735707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.735707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.735707 (E_RNA)
where:
Base-Base interactions energy: -515.745
where: short stacking energy: -231.398
Base-Backbone interact. energy: -0.730
local terms energy: -227.261493
where:
bonds (distance) C4'-P energy: -41.495
bonds (distance) P-C4' energy: -40.700
flat angles C4'-P-C4' energy: -45.109
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: -68.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -749.253014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.253014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.253014 (E_RNA)
where:
Base-Base interactions energy: -513.108
where: short stacking energy: -225.483
Base-Backbone interact. energy: -1.692
local terms energy: -234.452508
where:
bonds (distance) C4'-P energy: -43.265
bonds (distance) P-C4' energy: -45.651
flat angles C4'-P-C4' energy: -46.387
flat angles P-C4'-P energy: -31.705
tors. eta vs tors. theta energy: -67.445
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: 3, replica: 5
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -717.228338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.228338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.228338 (E_RNA)
where:
Base-Base interactions energy: -495.850
where: short stacking energy: -214.475
Base-Backbone interact. energy: -2.195
local terms energy: -219.183647
where:
bonds (distance) C4'-P energy: -36.771
bonds (distance) P-C4' energy: -41.854
flat angles C4'-P-C4' energy: -53.115
flat angles P-C4'-P energy: -29.537
tors. eta vs tors. theta energy: -57.906
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: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -658.511518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.511518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.511518 (E_RNA)
where:
Base-Base interactions energy: -445.615
where: short stacking energy: -206.419
Base-Backbone interact. energy: -0.755
local terms energy: -212.141081
where:
bonds (distance) C4'-P energy: -38.930
bonds (distance) P-C4' energy: -32.690
flat angles C4'-P-C4' energy: -48.844
flat angles P-C4'-P energy: -32.403
tors. eta vs tors. theta energy: -59.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -685.962044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.962044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.962044 (E_RNA)
where:
Base-Base interactions energy: -481.860
where: short stacking energy: -209.296
Base-Backbone interact. energy: -1.561
local terms energy: -202.540989
where:
bonds (distance) C4'-P energy: -38.390
bonds (distance) P-C4' energy: -33.706
flat angles C4'-P-C4' energy: -43.501
flat angles P-C4'-P energy: -24.397
tors. eta vs tors. theta energy: -62.547
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: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -524.790337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.790337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.790337 (E_RNA)
where:
Base-Base interactions energy: -343.854
where: short stacking energy: -158.282
Base-Backbone interact. energy: -0.817
local terms energy: -180.119698
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -32.781
flat angles C4'-P-C4' energy: -32.000
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -36.509
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: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -491.506009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.506009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.506009 (E_RNA)
where:
Base-Base interactions energy: -327.178
where: short stacking energy: -158.377
Base-Backbone interact. energy: -1.648
local terms energy: -162.680548
where:
bonds (distance) C4'-P energy: -32.647
bonds (distance) P-C4' energy: -38.328
flat angles C4'-P-C4' energy: -37.120
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -37.589
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: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -485.996578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.996578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.996578 (E_RNA)
where:
Base-Base interactions energy: -303.901
where: short stacking energy: -139.207
Base-Backbone interact. energy: 0.136
local terms energy: -182.230997
where:
bonds (distance) C4'-P energy: -39.358
bonds (distance) P-C4' energy: -34.483
flat angles C4'-P-C4' energy: -42.479
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: -40.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -344.219596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.219596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.219596 (E_RNA)
where:
Base-Base interactions energy: -189.039
where: short stacking energy: -103.881
Base-Backbone interact. energy: 1.523
local terms energy: -156.703345
where:
bonds (distance) C4'-P energy: -42.990
bonds (distance) P-C4' energy: -32.950
flat angles C4'-P-C4' energy: -42.601
flat angles P-C4'-P energy: -19.502
tors. eta vs tors. theta energy: -18.662
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: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -198.892723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.892723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.892723 (E_RNA)
where:
Base-Base interactions energy: -71.669
where: short stacking energy: -71.239
Base-Backbone interact. energy: -1.171
local terms energy: -126.053080
where:
bonds (distance) C4'-P energy: -39.745
bonds (distance) P-C4' energy: -42.454
flat angles C4'-P-C4' energy: -35.421
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: 5.672
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: 1, replica: 6
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -758.670017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.670017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.670017 (E_RNA)
where:
Base-Base interactions energy: -527.707
where: short stacking energy: -222.508
Base-Backbone interact. energy: -1.962
local terms energy: -229.000459
where:
bonds (distance) C4'-P energy: -34.009
bonds (distance) P-C4' energy: -45.376
flat angles C4'-P-C4' energy: -49.728
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -65.181
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: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -743.124534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.124534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.124534 (E_RNA)
where:
Base-Base interactions energy: -497.946
where: short stacking energy: -218.605
Base-Backbone interact. energy: -0.374
local terms energy: -244.804754
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -48.978
flat angles P-C4'-P energy: -38.394
tors. eta vs tors. theta energy: -63.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -723.460957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.460957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.460957 (E_RNA)
where:
Base-Base interactions energy: -493.967
where: short stacking energy: -211.455
Base-Backbone interact. energy: -2.036
local terms energy: -227.457665
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -46.943
flat angles C4'-P-C4' energy: -44.279
flat angles P-C4'-P energy: -29.269
tors. eta vs tors. theta energy: -63.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -631.241379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.241379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.241379 (E_RNA)
where:
Base-Base interactions energy: -424.427
where: short stacking energy: -205.933
Base-Backbone interact. energy: -0.834
local terms energy: -205.980961
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -43.363
flat angles C4'-P-C4' energy: -43.835
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -59.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -697.502937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.502937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.502937 (E_RNA)
where:
Base-Base interactions energy: -478.621
where: short stacking energy: -212.167
Base-Backbone interact. energy: 2.863
local terms energy: -221.745648
where:
bonds (distance) C4'-P energy: -38.963
bonds (distance) P-C4' energy: -37.671
flat angles C4'-P-C4' energy: -49.557
flat angles P-C4'-P energy: -31.016
tors. eta vs tors. theta energy: -64.539
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: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -529.659040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.659040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.659040 (E_RNA)
where:
Base-Base interactions energy: -355.856
where: short stacking energy: -166.017
Base-Backbone interact. energy: -0.250
local terms energy: -173.552787
where:
bonds (distance) C4'-P energy: -36.115
bonds (distance) P-C4' energy: -42.223
flat angles C4'-P-C4' energy: -35.050
flat angles P-C4'-P energy: -31.955
tors. eta vs tors. theta energy: -28.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -486.628199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.628199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.628199 (E_RNA)
where:
Base-Base interactions energy: -320.741
where: short stacking energy: -149.859
Base-Backbone interact. energy: -0.747
local terms energy: -165.140627
where:
bonds (distance) C4'-P energy: -40.657
bonds (distance) P-C4' energy: -44.776
flat angles C4'-P-C4' energy: -33.010
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -32.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -453.748747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.748747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.748747 (E_RNA)
where:
Base-Base interactions energy: -306.289
where: short stacking energy: -144.604
Base-Backbone interact. energy: 4.103
local terms energy: -151.562201
where:
bonds (distance) C4'-P energy: -26.402
bonds (distance) P-C4' energy: -38.844
flat angles C4'-P-C4' energy: -33.710
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -29.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -343.436847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.436847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.436847 (E_RNA)
where:
Base-Base interactions energy: -192.398
where: short stacking energy: -97.682
Base-Backbone interact. energy: -0.098
local terms energy: -150.941475
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -36.010
flat angles P-C4'-P energy: -20.913
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -188.448805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.448805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.448805 (E_RNA)
where:
Base-Base interactions energy: -64.966
where: short stacking energy: -55.259
Base-Backbone interact. energy: 2.762
local terms energy: -126.245282
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -38.097
flat angles C4'-P-C4' energy: -37.429
flat angles P-C4'-P energy: -4.941
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -757.358256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.358256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.358256 (E_RNA)
where:
Base-Base interactions energy: -524.294
where: short stacking energy: -224.837
Base-Backbone interact. energy: -2.135
local terms energy: -230.929513
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -42.897
flat angles C4'-P-C4' energy: -45.940
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -65.049
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: 5
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -744.713660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.713660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.713660 (E_RNA)
where:
Base-Base interactions energy: -517.400
where: short stacking energy: -223.984
Base-Backbone interact. energy: -1.258
local terms energy: -226.056343
where:
bonds (distance) C4'-P energy: -39.216
bonds (distance) P-C4' energy: -41.979
flat angles C4'-P-C4' energy: -46.451
flat angles P-C4'-P energy: -35.046
tors. eta vs tors. theta energy: -63.364
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: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -717.418633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.418633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.418633 (E_RNA)
where:
Base-Base interactions energy: -482.764
where: short stacking energy: -218.284
Base-Backbone interact. energy: -0.853
local terms energy: -233.801305
where:
bonds (distance) C4'-P energy: -39.563
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -48.714
flat angles P-C4'-P energy: -34.840
tors. eta vs tors. theta energy: -66.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -721.276285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.276285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.276285 (E_RNA)
where:
Base-Base interactions energy: -489.436
where: short stacking energy: -207.428
Base-Backbone interact. energy: 0.279
local terms energy: -232.118919
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -47.184
flat angles C4'-P-C4' energy: -47.942
flat angles P-C4'-P energy: -33.429
tors. eta vs tors. theta energy: -58.481
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: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -613.384185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.384185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.384185 (E_RNA)
where:
Base-Base interactions energy: -401.407
where: short stacking energy: -171.653
Base-Backbone interact. energy: -0.680
local terms energy: -211.297270
where:
bonds (distance) C4'-P energy: -44.862
bonds (distance) P-C4' energy: -43.705
flat angles C4'-P-C4' energy: -45.647
flat angles P-C4'-P energy: -26.922
tors. eta vs tors. theta energy: -50.161
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: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -522.932914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.932914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.932914 (E_RNA)
where:
Base-Base interactions energy: -331.585
where: short stacking energy: -154.461
Base-Backbone interact. energy: -1.353
local terms energy: -189.995055
where:
bonds (distance) C4'-P energy: -37.581
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -47.713
flat angles P-C4'-P energy: -27.121
tors. eta vs tors. theta energy: -35.129
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: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -406.485139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.485139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.485139 (E_RNA)
where:
Base-Base interactions energy: -256.134
where: short stacking energy: -121.807
Base-Backbone interact. energy: -1.692
local terms energy: -148.658906
where:
bonds (distance) C4'-P energy: -38.181
bonds (distance) P-C4' energy: -38.389
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -19.092
tors. eta vs tors. theta energy: -21.264
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: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -419.196016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.196016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.196016 (E_RNA)
where:
Base-Base interactions energy: -254.195
where: short stacking energy: -127.952
Base-Backbone interact. energy: 2.388
local terms energy: -167.388679
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -41.502
flat angles C4'-P-C4' energy: -50.729
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -24.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -311.346135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.346135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.346135 (E_RNA)
where:
Base-Base interactions energy: -166.004
where: short stacking energy: -105.627
Base-Backbone interact. energy: -1.257
local terms energy: -144.085218
where:
bonds (distance) C4'-P energy: -41.877
bonds (distance) P-C4' energy: -38.481
flat angles C4'-P-C4' energy: -34.484
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -197.171748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.171748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.171748 (E_RNA)
where:
Base-Base interactions energy: -82.000
where: short stacking energy: -66.053
Base-Backbone interact. energy: -0.444
local terms energy: -114.727907
where:
bonds (distance) C4'-P energy: -26.571
bonds (distance) P-C4' energy: -27.374
flat angles C4'-P-C4' energy: -28.618
flat angles P-C4'-P energy: -25.953
tors. eta vs tors. theta energy: -6.213
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: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -753.926856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.926856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.926856 (E_RNA)
where:
Base-Base interactions energy: -523.119
where: short stacking energy: -225.133
Base-Backbone interact. energy: 2.462
local terms energy: -233.269438
where:
bonds (distance) C4'-P energy: -36.312
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -43.560
flat angles P-C4'-P energy: -38.315
tors. eta vs tors. theta energy: -66.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -731.810743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.810743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.810743 (E_RNA)
where:
Base-Base interactions energy: -507.920
where: short stacking energy: -204.626
Base-Backbone interact. energy: -1.748
local terms energy: -222.142884
where:
bonds (distance) C4'-P energy: -42.693
bonds (distance) P-C4' energy: -48.334
flat angles C4'-P-C4' energy: -47.315
flat angles P-C4'-P energy: -23.481
tors. eta vs tors. theta energy: -60.320
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: 286
Temperature: 1.000000
Total energy: -737.257026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.257026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.257026 (E_RNA)
where:
Base-Base interactions energy: -495.627
where: short stacking energy: -225.712
Base-Backbone interact. energy: -0.655
local terms energy: -240.974927
where:
bonds (distance) C4'-P energy: -47.815
bonds (distance) P-C4' energy: -42.957
flat angles C4'-P-C4' energy: -50.606
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: -66.602
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: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -690.527611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.527611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.527611 (E_RNA)
where:
Base-Base interactions energy: -471.062
where: short stacking energy: -205.900
Base-Backbone interact. energy: -0.885
local terms energy: -218.581077
where:
bonds (distance) C4'-P energy: -43.139
bonds (distance) P-C4' energy: -40.330
flat angles C4'-P-C4' energy: -46.011
flat angles P-C4'-P energy: -30.243
tors. eta vs tors. theta energy: -58.859
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: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -615.722684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.722684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.722684 (E_RNA)
where:
Base-Base interactions energy: -400.739
where: short stacking energy: -193.277
Base-Backbone interact. energy: -0.371
local terms energy: -214.611866
where:
bonds (distance) C4'-P energy: -49.519
bonds (distance) P-C4' energy: -44.612
flat angles C4'-P-C4' energy: -40.027
flat angles P-C4'-P energy: -23.820
tors. eta vs tors. theta energy: -56.634
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: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -570.780061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.780061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.780061 (E_RNA)
where:
Base-Base interactions energy: -385.688
where: short stacking energy: -174.219
Base-Backbone interact. energy: 6.057
local terms energy: -191.148883
where:
bonds (distance) C4'-P energy: -33.550
bonds (distance) P-C4' energy: -42.744
flat angles C4'-P-C4' energy: -45.551
flat angles P-C4'-P energy: -30.210
tors. eta vs tors. theta energy: -39.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -441.914439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.914439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.914439 (E_RNA)
where:
Base-Base interactions energy: -276.747
where: short stacking energy: -145.186
Base-Backbone interact. energy: -0.011
local terms energy: -165.156746
where:
bonds (distance) C4'-P energy: -40.257
bonds (distance) P-C4' energy: -43.301
flat angles C4'-P-C4' energy: -37.856
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -20.781
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: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -423.110180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.110180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.110180 (E_RNA)
where:
Base-Base interactions energy: -272.015
where: short stacking energy: -130.906
Base-Backbone interact. energy: -0.307
local terms energy: -150.787908
where:
bonds (distance) C4'-P energy: -37.043
bonds (distance) P-C4' energy: -39.250
flat angles C4'-P-C4' energy: -36.309
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -20.583
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: 286
Temperature: 1.300000
Total energy: -313.586245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.586245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.586245 (E_RNA)
where:
Base-Base interactions energy: -172.393
where: short stacking energy: -92.010
Base-Backbone interact. energy: 0.274
local terms energy: -141.466617
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -37.476
flat angles C4'-P-C4' energy: -33.796
flat angles P-C4'-P energy: -21.670
tors. eta vs tors. theta energy: -10.793
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: 10, replica: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -232.632043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.632043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.632043 (E_RNA)
where:
Base-Base interactions energy: -113.776
where: short stacking energy: -78.710
Base-Backbone interact. energy: 1.802
local terms energy: -120.657924
where:
bonds (distance) C4'-P energy: -42.974
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -33.569
flat angles P-C4'-P energy: 0.301
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -743.223463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.223463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.223463 (E_RNA)
where:
Base-Base interactions energy: -505.735
where: short stacking energy: -214.789
Base-Backbone interact. energy: -0.570
local terms energy: -236.918519
where:
bonds (distance) C4'-P energy: -41.079
bonds (distance) P-C4' energy: -49.155
flat angles C4'-P-C4' energy: -49.462
flat angles P-C4'-P energy: -38.240
tors. eta vs tors. theta energy: -58.983
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: 2, replica: 6
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -736.593673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.593673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.593673 (E_RNA)
where:
Base-Base interactions energy: -504.775
where: short stacking energy: -208.412
Base-Backbone interact. energy: -2.064
local terms energy: -229.755166
where:
bonds (distance) C4'-P energy: -44.601
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -47.064
flat angles P-C4'-P energy: -35.379
tors. eta vs tors. theta energy: -62.864
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: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -729.161515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.161515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.161515 (E_RNA)
where:
Base-Base interactions energy: -489.961
where: short stacking energy: -234.972
Base-Backbone interact. energy: -1.087
local terms energy: -238.112776
where:
bonds (distance) C4'-P energy: -42.372
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -49.128
flat angles P-C4'-P energy: -37.533
tors. eta vs tors. theta energy: -67.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -691.311108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.311108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.311108 (E_RNA)
where:
Base-Base interactions energy: -489.050
where: short stacking energy: -218.475
Base-Backbone interact. energy: -1.234
local terms energy: -201.027361
where:
bonds (distance) C4'-P energy: -35.108
bonds (distance) P-C4' energy: -32.035
flat angles C4'-P-C4' energy: -47.301
flat angles P-C4'-P energy: -29.854
tors. eta vs tors. theta energy: -56.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -602.439956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.439956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.439956 (E_RNA)
where:
Base-Base interactions energy: -399.498
where: short stacking energy: -180.941
Base-Backbone interact. energy: -1.590
local terms energy: -201.351355
where:
bonds (distance) C4'-P energy: -39.066
bonds (distance) P-C4' energy: -40.902
flat angles C4'-P-C4' energy: -44.741
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -46.385
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: 7
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -572.691094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.691094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.691094 (E_RNA)
where:
Base-Base interactions energy: -381.108
where: short stacking energy: -166.709
Base-Backbone interact. energy: -0.724
local terms energy: -190.858727
where:
bonds (distance) C4'-P energy: -28.917
bonds (distance) P-C4' energy: -46.465
flat angles C4'-P-C4' energy: -40.957
flat angles P-C4'-P energy: -32.220
tors. eta vs tors. theta energy: -42.299
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: 7, replica: 8
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -459.153239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.153239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.153239 (E_RNA)
where:
Base-Base interactions energy: -290.733
where: short stacking energy: -136.188
Base-Backbone interact. energy: -1.650
local terms energy: -166.770756
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -35.938
flat angles C4'-P-C4' energy: -44.464
flat angles P-C4'-P energy: -22.469
tors. eta vs tors. theta energy: -32.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -445.999985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.999985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.999985 (E_RNA)
where:
Base-Base interactions energy: -284.909
where: short stacking energy: -134.830
Base-Backbone interact. energy: 0.100
local terms energy: -161.190746
where:
bonds (distance) C4'-P energy: -38.852
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -36.624
flat angles P-C4'-P energy: -30.928
tors. eta vs tors. theta energy: -24.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -297.767278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.767278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.767278 (E_RNA)
where:
Base-Base interactions energy: -150.566
where: short stacking energy: -86.305
Base-Backbone interact. energy: 1.219
local terms energy: -148.420255
where:
bonds (distance) C4'-P energy: -39.563
bonds (distance) P-C4' energy: -41.510
flat angles C4'-P-C4' energy: -36.225
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -11.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -200.938665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.938665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.938665 (E_RNA)
where:
Base-Base interactions energy: -69.834
where: short stacking energy: -66.323
Base-Backbone interact. energy: 0.116
local terms energy: -131.220912
where:
bonds (distance) C4'-P energy: -41.345
bonds (distance) P-C4' energy: -31.879
flat angles C4'-P-C4' energy: -41.705
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -742.014334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.014334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.014334 (E_RNA)
where:
Base-Base interactions energy: -515.152
where: short stacking energy: -223.565
Base-Backbone interact. energy: -1.017
local terms energy: -225.844937
where:
bonds (distance) C4'-P energy: -37.265
bonds (distance) P-C4' energy: -39.806
flat angles C4'-P-C4' energy: -50.813
flat angles P-C4'-P energy: -38.761
tors. eta vs tors. theta energy: -59.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -742.893370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.893370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.893370 (E_RNA)
where:
Base-Base interactions energy: -526.899
where: short stacking energy: -215.292
Base-Backbone interact. energy: -0.927
local terms energy: -215.067449
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -32.657
flat angles C4'-P-C4' energy: -48.286
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: -65.678
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: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -724.343800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.343800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.343800 (E_RNA)
where:
Base-Base interactions energy: -503.355
where: short stacking energy: -229.462
Base-Backbone interact. energy: 0.299
local terms energy: -221.288663
where:
bonds (distance) C4'-P energy: -40.482
bonds (distance) P-C4' energy: -33.858
flat angles C4'-P-C4' energy: -41.733
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -66.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -688.755751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.755751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.755751 (E_RNA)
where:
Base-Base interactions energy: -475.437
where: short stacking energy: -209.673
Base-Backbone interact. energy: -1.149
local terms energy: -212.169812
where:
bonds (distance) C4'-P energy: -36.781
bonds (distance) P-C4' energy: -44.335
flat angles C4'-P-C4' energy: -42.417
flat angles P-C4'-P energy: -26.097
tors. eta vs tors. theta energy: -62.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -642.400078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.400078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.400078 (E_RNA)
where:
Base-Base interactions energy: -423.410
where: short stacking energy: -195.855
Base-Backbone interact. energy: -0.158
local terms energy: -218.832298
where:
bonds (distance) C4'-P energy: -43.837
bonds (distance) P-C4' energy: -41.684
flat angles C4'-P-C4' energy: -44.495
flat angles P-C4'-P energy: -33.077
tors. eta vs tors. theta energy: -55.739
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: 6, replica: 7
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -565.100865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.100865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.100865 (E_RNA)
where:
Base-Base interactions energy: -374.713
where: short stacking energy: -173.070
Base-Backbone interact. energy: -2.496
local terms energy: -187.891730
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -44.571
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -23.010
tors. eta vs tors. theta energy: -46.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -480.509027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.509027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.509027 (E_RNA)
where:
Base-Base interactions energy: -294.137
where: short stacking energy: -138.517
Base-Backbone interact. energy: -0.492
local terms energy: -185.880725
where:
bonds (distance) C4'-P energy: -40.755
bonds (distance) P-C4' energy: -42.372
flat angles C4'-P-C4' energy: -41.718
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -37.909
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: 8, replica: 8
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -439.745005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.745005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.745005 (E_RNA)
where:
Base-Base interactions energy: -272.526
where: short stacking energy: -144.033
Base-Backbone interact. energy: -0.202
local terms energy: -167.016455
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -43.220
flat angles C4'-P-C4' energy: -35.455
flat angles P-C4'-P energy: -37.157
tors. eta vs tors. theta energy: -27.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -212.709073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.709073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.709073 (E_RNA)
where:
Base-Base interactions energy: -83.968
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.360
local terms energy: -128.380605
where:
bonds (distance) C4'-P energy: -29.191
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -34.433
flat angles P-C4'-P energy: -25.291
tors. eta vs tors. theta energy: 3.607
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: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -294.952951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.952951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.952951 (E_RNA)
where:
Base-Base interactions energy: -157.882
where: short stacking energy: -81.452
Base-Backbone interact. energy: 0.489
local terms energy: -137.560405
where:
bonds (distance) C4'-P energy: -33.092
bonds (distance) P-C4' energy: -46.768
flat angles C4'-P-C4' energy: -31.649
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -8.919
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: 289
Temperature: 0.900000
Total energy: -752.247065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.247065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.247065 (E_RNA)
where:
Base-Base interactions energy: -517.049
where: short stacking energy: -234.868
Base-Backbone interact. energy: -1.225
local terms energy: -233.972749
where:
bonds (distance) C4'-P energy: -43.405
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -49.083
flat angles P-C4'-P energy: -32.685
tors. eta vs tors. theta energy: -65.439
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: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -737.743694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.743694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.743694 (E_RNA)
where:
Base-Base interactions energy: -490.392
where: short stacking energy: -225.633
Base-Backbone interact. energy: -0.909
local terms energy: -246.442598
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -46.189
flat angles C4'-P-C4' energy: -48.592
flat angles P-C4'-P energy: -39.979
tors. eta vs tors. theta energy: -66.323
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: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -718.319601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.319601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.319601 (E_RNA)
where:
Base-Base interactions energy: -493.835
where: short stacking energy: -201.498
Base-Backbone interact. energy: -0.885
local terms energy: -223.600048
where:
bonds (distance) C4'-P energy: -48.454
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -50.299
flat angles P-C4'-P energy: -32.223
tors. eta vs tors. theta energy: -52.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -690.011858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.011858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.011858 (E_RNA)
where:
Base-Base interactions energy: -492.871
where: short stacking energy: -209.897
Base-Backbone interact. energy: 4.090
local terms energy: -201.230717
where:
bonds (distance) C4'-P energy: -33.149
bonds (distance) P-C4' energy: -38.062
flat angles C4'-P-C4' energy: -40.422
flat angles P-C4'-P energy: -26.661
tors. eta vs tors. theta energy: -62.938
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: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -622.288250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.288250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.288250 (E_RNA)
where:
Base-Base interactions energy: -419.931
where: short stacking energy: -185.906
Base-Backbone interact. energy: -0.922
local terms energy: -201.435119
where:
bonds (distance) C4'-P energy: -37.880
bonds (distance) P-C4' energy: -43.562
flat angles C4'-P-C4' energy: -44.919
flat angles P-C4'-P energy: -19.799
tors. eta vs tors. theta energy: -55.276
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: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -545.364606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.364606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.364606 (E_RNA)
where:
Base-Base interactions energy: -353.343
where: short stacking energy: -160.027
Base-Backbone interact. energy: -1.262
local terms energy: -190.760260
where:
bonds (distance) C4'-P energy: -40.874
bonds (distance) P-C4' energy: -46.532
flat angles C4'-P-C4' energy: -36.334
flat angles P-C4'-P energy: -29.394
tors. eta vs tors. theta energy: -37.626
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: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -443.820461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.820461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.820461 (E_RNA)
where:
Base-Base interactions energy: -266.208
where: short stacking energy: -135.249
Base-Backbone interact. energy: -1.224
local terms energy: -176.389025
where:
bonds (distance) C4'-P energy: -35.230
bonds (distance) P-C4' energy: -48.440
flat angles C4'-P-C4' energy: -37.658
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -32.662
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: 8, replica: 8
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -461.824143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.824143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.824143 (E_RNA)
where:
Base-Base interactions energy: -291.410
where: short stacking energy: -132.952
Base-Backbone interact. energy: -1.692
local terms energy: -168.722179
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -39.038
flat angles C4'-P-C4' energy: -37.905
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -35.794
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: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -197.421476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.421476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.421476 (E_RNA)
where:
Base-Base interactions energy: -75.430
where: short stacking energy: -71.585
Base-Backbone interact. energy: 2.142
local terms energy: -124.133606
where:
bonds (distance) C4'-P energy: -25.843
bonds (distance) P-C4' energy: -51.396
flat angles C4'-P-C4' energy: -42.482
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: 5.301
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: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -230.651700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.651700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.651700 (E_RNA)
where:
Base-Base interactions energy: -107.111
where: short stacking energy: -59.016
Base-Backbone interact. energy: 3.750
local terms energy: -127.291119
where:
bonds (distance) C4'-P energy: -30.471
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -35.993
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -4.721
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: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -752.897742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.897742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.897742 (E_RNA)
where:
Base-Base interactions energy: -512.263
where: short stacking energy: -222.093
Base-Backbone interact. energy: -1.179
local terms energy: -239.455629
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -46.733
flat angles C4'-P-C4' energy: -45.799
flat angles P-C4'-P energy: -40.872
tors. eta vs tors. theta energy: -59.216
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: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -717.098830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.098830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.098830 (E_RNA)
where:
Base-Base interactions energy: -488.130
where: short stacking energy: -212.414
Base-Backbone interact. energy: -0.671
local terms energy: -228.298126
where:
bonds (distance) C4'-P energy: -49.204
bonds (distance) P-C4' energy: -47.128
flat angles C4'-P-C4' energy: -39.610
flat angles P-C4'-P energy: -28.840
tors. eta vs tors. theta energy: -63.516
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: 3, replica: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -740.495999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.495999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.495999 (E_RNA)
where:
Base-Base interactions energy: -511.009
where: short stacking energy: -220.360
Base-Backbone interact. energy: -0.829
local terms energy: -228.657655
where:
bonds (distance) C4'-P energy: -40.337
bonds (distance) P-C4' energy: -47.075
flat angles C4'-P-C4' energy: -53.736
flat angles P-C4'-P energy: -24.381
tors. eta vs tors. theta energy: -63.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -698.140499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.140499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.140499 (E_RNA)
where:
Base-Base interactions energy: -485.908
where: short stacking energy: -200.896
Base-Backbone interact. energy: -0.039
local terms energy: -212.194076
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -40.129
flat angles C4'-P-C4' energy: -44.781
flat angles P-C4'-P energy: -29.063
tors. eta vs tors. theta energy: -58.138
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: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -616.617322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.617322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.617322 (E_RNA)
where:
Base-Base interactions energy: -421.573
where: short stacking energy: -188.090
Base-Backbone interact. energy: -0.017
local terms energy: -195.027133
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -44.941
flat angles C4'-P-C4' energy: -46.048
flat angles P-C4'-P energy: -29.299
tors. eta vs tors. theta energy: -55.473
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: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -575.011704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.011704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.011704 (E_RNA)
where:
Base-Base interactions energy: -390.562
where: short stacking energy: -176.243
Base-Backbone interact. energy: 3.625
local terms energy: -188.074633
where:
bonds (distance) C4'-P energy: -36.135
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -36.715
flat angles P-C4'-P energy: -27.269
tors. eta vs tors. theta energy: -44.955
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: 7, replica: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -466.910120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.910120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.910120 (E_RNA)
where:
Base-Base interactions energy: -296.158
where: short stacking energy: -134.290
Base-Backbone interact. energy: -0.485
local terms energy: -170.267582
where:
bonds (distance) C4'-P energy: -38.557
bonds (distance) P-C4' energy: -41.479
flat angles C4'-P-C4' energy: -37.325
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -41.195
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: 8, replica: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -434.444159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.444159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.444159 (E_RNA)
where:
Base-Base interactions energy: -262.068
where: short stacking energy: -130.067
Base-Backbone interact. energy: 2.471
local terms energy: -174.846392
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -33.587
flat angles C4'-P-C4' energy: -37.586
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -31.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -222.323531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.323531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.323531 (E_RNA)
where:
Base-Base interactions energy: -90.923
where: short stacking energy: -69.073
Base-Backbone interact. energy: 2.080
local terms energy: -133.480766
where:
bonds (distance) C4'-P energy: -32.984
bonds (distance) P-C4' energy: -43.398
flat angles C4'-P-C4' energy: -31.461
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -1.874
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: 10, replica: 9
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -207.349701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.349701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.349701 (E_RNA)
where:
Base-Base interactions energy: -72.449
where: short stacking energy: -61.817
Base-Backbone interact. energy: -1.876
local terms energy: -133.024959
where:
bonds (distance) C4'-P energy: -36.009
bonds (distance) P-C4' energy: -38.890
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -761.904369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.904369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.904369 (E_RNA)
where:
Base-Base interactions energy: -531.594
where: short stacking energy: -223.203
Base-Backbone interact. energy: -0.060
local terms energy: -230.251011
where:
bonds (distance) C4'-P energy: -48.320
bonds (distance) P-C4' energy: -45.426
flat angles C4'-P-C4' energy: -47.372
flat angles P-C4'-P energy: -21.586
tors. eta vs tors. theta energy: -67.547
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: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -728.821776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.821776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.821776 (E_RNA)
where:
Base-Base interactions energy: -485.575
where: short stacking energy: -216.512
Base-Backbone interact. energy: -2.312
local terms energy: -240.935212
where:
bonds (distance) C4'-P energy: -43.210
bonds (distance) P-C4' energy: -46.112
flat angles C4'-P-C4' energy: -48.743
flat angles P-C4'-P energy: -39.901
tors. eta vs tors. theta energy: -62.969
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: 3, replica: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -725.334653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.334653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.334653 (E_RNA)
where:
Base-Base interactions energy: -503.748
where: short stacking energy: -211.096
Base-Backbone interact. energy: 0.890
local terms energy: -222.477046
where:
bonds (distance) C4'-P energy: -36.782
bonds (distance) P-C4' energy: -47.004
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -32.396
tors. eta vs tors. theta energy: -60.990
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: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -678.353014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.353014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.353014 (E_RNA)
where:
Base-Base interactions energy: -463.239
where: short stacking energy: -194.707
Base-Backbone interact. energy: -0.824
local terms energy: -214.290528
where:
bonds (distance) C4'-P energy: -41.379
bonds (distance) P-C4' energy: -43.001
flat angles C4'-P-C4' energy: -40.602
flat angles P-C4'-P energy: -33.513
tors. eta vs tors. theta energy: -55.795
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: 291
Temperature: 1.100000
Total energy: -618.060529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.060529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.060529 (E_RNA)
where:
Base-Base interactions energy: -392.763
where: short stacking energy: -191.015
Base-Backbone interact. energy: -1.311
local terms energy: -223.986847
where:
bonds (distance) C4'-P energy: -35.429
bonds (distance) P-C4' energy: -48.768
flat angles C4'-P-C4' energy: -45.072
flat angles P-C4'-P energy: -40.374
tors. eta vs tors. theta energy: -54.344
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: 6, replica: 7
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -548.331608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.331608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.331608 (E_RNA)
where:
Base-Base interactions energy: -367.663
where: short stacking energy: -164.990
Base-Backbone interact. energy: 1.675
local terms energy: -182.344519
where:
bonds (distance) C4'-P energy: -30.635
bonds (distance) P-C4' energy: -45.101
flat angles C4'-P-C4' energy: -44.195
flat angles P-C4'-P energy: -27.501
tors. eta vs tors. theta energy: -34.913
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: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -448.625025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.625025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.625025 (E_RNA)
where:
Base-Base interactions energy: -251.946
where: short stacking energy: -139.244
Base-Backbone interact. energy: -0.777
local terms energy: -195.901766
where:
bonds (distance) C4'-P energy: -43.670
bonds (distance) P-C4' energy: -44.810
flat angles C4'-P-C4' energy: -43.588
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -39.729
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: 291
Temperature: 1.250000
Total energy: -439.298030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.298030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.298030 (E_RNA)
where:
Base-Base interactions energy: -258.694
where: short stacking energy: -126.489
Base-Backbone interact. energy: -1.113
local terms energy: -179.490957
where:
bonds (distance) C4'-P energy: -38.098
bonds (distance) P-C4' energy: -43.955
flat angles C4'-P-C4' energy: -39.015
flat angles P-C4'-P energy: -30.153
tors. eta vs tors. theta energy: -28.271
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: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -229.396485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.396485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.396485 (E_RNA)
where:
Base-Base interactions energy: -102.017
where: short stacking energy: -69.342
Base-Backbone interact. energy: -1.413
local terms energy: -125.966452
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -42.007
flat angles C4'-P-C4' energy: -35.180
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -216.831500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.831500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.831500 (E_RNA)
where:
Base-Base interactions energy: -82.076
where: short stacking energy: -73.892
Base-Backbone interact. energy: 0.029
local terms energy: -134.785322
where:
bonds (distance) C4'-P energy: -27.618
bonds (distance) P-C4' energy: -45.483
flat angles C4'-P-C4' energy: -34.237
flat angles P-C4'-P energy: -19.236
tors. eta vs tors. theta energy: -8.211
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: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -723.308202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.308202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.308202 (E_RNA)
where:
Base-Base interactions energy: -489.046
where: short stacking energy: -206.620
Base-Backbone interact. energy: -1.141
local terms energy: -233.121724
where:
bonds (distance) C4'-P energy: -47.771
bonds (distance) P-C4' energy: -42.988
flat angles C4'-P-C4' energy: -51.360
flat angles P-C4'-P energy: -31.380
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: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -739.257055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.257055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.257055 (E_RNA)
where:
Base-Base interactions energy: -507.320
where: short stacking energy: -211.456
Base-Backbone interact. energy: -1.097
local terms energy: -230.840005
where:
bonds (distance) C4'-P energy: -33.401
bonds (distance) P-C4' energy: -48.155
flat angles C4'-P-C4' energy: -48.090
flat angles P-C4'-P energy: -36.626
tors. eta vs tors. theta energy: -64.568
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: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -681.331911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.331911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.331911 (E_RNA)
where:
Base-Base interactions energy: -479.013
where: short stacking energy: -192.719
Base-Backbone interact. energy: -2.266
local terms energy: -200.052218
where:
bonds (distance) C4'-P energy: -36.982
bonds (distance) P-C4' energy: -42.818
flat angles C4'-P-C4' energy: -42.315
flat angles P-C4'-P energy: -23.930
tors. eta vs tors. theta energy: -54.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -700.022440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.022440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.022440 (E_RNA)
where:
Base-Base interactions energy: -483.312
where: short stacking energy: -205.680
Base-Backbone interact. energy: -0.864
local terms energy: -215.846567
where:
bonds (distance) C4'-P energy: -39.801
bonds (distance) P-C4' energy: -46.252
flat angles C4'-P-C4' energy: -40.142
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -59.298
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: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -607.974812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.974812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.974812 (E_RNA)
where:
Base-Base interactions energy: -408.554
where: short stacking energy: -185.055
Base-Backbone interact. energy: 1.043
local terms energy: -200.463994
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -42.896
flat angles C4'-P-C4' energy: -43.026
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -48.779
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: 7
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -519.646031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.646031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.646031 (E_RNA)
where:
Base-Base interactions energy: -345.285
where: short stacking energy: -159.451
Base-Backbone interact. energy: 3.734
local terms energy: -178.094851
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -45.514
flat angles C4'-P-C4' energy: -36.662
flat angles P-C4'-P energy: -28.853
tors. eta vs tors. theta energy: -41.318
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: 8
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -473.230369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.230369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.230369 (E_RNA)
where:
Base-Base interactions energy: -296.797
where: short stacking energy: -159.587
Base-Backbone interact. energy: -0.980
local terms energy: -175.453525
where:
bonds (distance) C4'-P energy: -33.334
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -39.510
flat angles P-C4'-P energy: -17.236
tors. eta vs tors. theta energy: -47.509
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: 292
Temperature: 1.250000
Total energy: -449.927543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.927543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.927543 (E_RNA)
where:
Base-Base interactions energy: -274.186
where: short stacking energy: -123.419
Base-Backbone interact. energy: -0.306
local terms energy: -175.435239
where:
bonds (distance) C4'-P energy: -38.158
bonds (distance) P-C4' energy: -40.669
flat angles C4'-P-C4' energy: -45.769
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -31.391
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: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -216.772810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.772810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.772810 (E_RNA)
where:
Base-Base interactions energy: -108.757
where: short stacking energy: -69.889
Base-Backbone interact. energy: -1.862
local terms energy: -106.154531
where:
bonds (distance) C4'-P energy: -28.748
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -25.981
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -3.631
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: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -228.586748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.586748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.586748 (E_RNA)
where:
Base-Base interactions energy: -111.018
where: short stacking energy: -64.440
Base-Backbone interact. energy: -1.080
local terms energy: -116.488537
where:
bonds (distance) C4'-P energy: -36.883
bonds (distance) P-C4' energy: -37.520
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -1.485
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: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -739.468371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.468371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.468371 (E_RNA)
where:
Base-Base interactions energy: -507.790
where: short stacking energy: -218.691
Base-Backbone interact. energy: -1.136
local terms energy: -230.542400
where:
bonds (distance) C4'-P energy: -40.856
bonds (distance) P-C4' energy: -41.322
flat angles C4'-P-C4' energy: -46.255
flat angles P-C4'-P energy: -32.838
tors. eta vs tors. theta energy: -69.271
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: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -740.319899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.319899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.319899 (E_RNA)
where:
Base-Base interactions energy: -514.157
where: short stacking energy: -215.801
Base-Backbone interact. energy: -0.561
local terms energy: -225.602048
where:
bonds (distance) C4'-P energy: -38.917
bonds (distance) P-C4' energy: -43.550
flat angles C4'-P-C4' energy: -44.434
flat angles P-C4'-P energy: -36.862
tors. eta vs tors. theta energy: -61.839
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: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -704.807864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.807864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.807864 (E_RNA)
where:
Base-Base interactions energy: -499.141
where: short stacking energy: -202.158
Base-Backbone interact. energy: -0.336
local terms energy: -205.330970
where:
bonds (distance) C4'-P energy: -37.280
bonds (distance) P-C4' energy: -39.505
flat angles C4'-P-C4' energy: -46.818
flat angles P-C4'-P energy: -28.954
tors. eta vs tors. theta energy: -52.774
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: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -713.339208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.339208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.339208 (E_RNA)
where:
Base-Base interactions energy: -498.448
where: short stacking energy: -216.186
Base-Backbone interact. energy: -1.385
local terms energy: -213.505364
where:
bonds (distance) C4'-P energy: -36.381
bonds (distance) P-C4' energy: -44.138
flat angles C4'-P-C4' energy: -41.876
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -62.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -624.251984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.251984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.251984 (E_RNA)
where:
Base-Base interactions energy: -425.879
where: short stacking energy: -194.584
Base-Backbone interact. energy: -1.112
local terms energy: -197.260878
where:
bonds (distance) C4'-P energy: -42.953
bonds (distance) P-C4' energy: -35.353
flat angles C4'-P-C4' energy: -41.545
flat angles P-C4'-P energy: -26.201
tors. eta vs tors. theta energy: -51.210
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: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -533.168615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.168615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.168615 (E_RNA)
where:
Base-Base interactions energy: -357.658
where: short stacking energy: -158.338
Base-Backbone interact. energy: -0.465
local terms energy: -175.046415
where:
bonds (distance) C4'-P energy: -40.635
bonds (distance) P-C4' energy: -41.597
flat angles C4'-P-C4' energy: -33.395
flat angles P-C4'-P energy: -28.048
tors. eta vs tors. theta energy: -31.373
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: 8
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -445.583056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.583056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.583056 (E_RNA)
where:
Base-Base interactions energy: -254.687
where: short stacking energy: -132.781
Base-Backbone interact. energy: -0.773
local terms energy: -190.122987
where:
bonds (distance) C4'-P energy: -44.496
bonds (distance) P-C4' energy: -44.140
flat angles C4'-P-C4' energy: -38.213
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -38.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -430.570612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.570612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.570612 (E_RNA)
where:
Base-Base interactions energy: -274.888
where: short stacking energy: -132.996
Base-Backbone interact. energy: 0.553
local terms energy: -156.235319
where:
bonds (distance) C4'-P energy: -35.966
bonds (distance) P-C4' energy: -43.684
flat angles C4'-P-C4' energy: -35.418
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -23.107
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: 293
Temperature: 1.300000
Total energy: -215.973866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.973866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.973866 (E_RNA)
where:
Base-Base interactions energy: -81.210
where: short stacking energy: -77.587
Base-Backbone interact. energy: -1.018
local terms energy: -133.746406
where:
bonds (distance) C4'-P energy: -37.282
bonds (distance) P-C4' energy: -44.377
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -220.490886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.490886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.490886 (E_RNA)
where:
Base-Base interactions energy: -110.441
where: short stacking energy: -56.046
Base-Backbone interact. energy: -0.622
local terms energy: -109.428406
where:
bonds (distance) C4'-P energy: -35.612
bonds (distance) P-C4' energy: -35.054
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: 2.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -756.133301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.133301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.133301 (E_RNA)
where:
Base-Base interactions energy: -519.694
where: short stacking energy: -231.606
Base-Backbone interact. energy: -0.819
local terms energy: -235.620156
where:
bonds (distance) C4'-P energy: -43.004
bonds (distance) P-C4' energy: -45.980
flat angles C4'-P-C4' energy: -52.752
flat angles P-C4'-P energy: -29.869
tors. eta vs tors. theta energy: -64.015
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: 294
Temperature: 0.950000
Total energy: -735.165735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.165735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.165735 (E_RNA)
where:
Base-Base interactions energy: -502.016
where: short stacking energy: -222.755
Base-Backbone interact. energy: -2.043
local terms energy: -231.106714
where:
bonds (distance) C4'-P energy: -41.792
bonds (distance) P-C4' energy: -42.954
flat angles C4'-P-C4' energy: -44.601
flat angles P-C4'-P energy: -36.334
tors. eta vs tors. theta energy: -65.427
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: 6
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -709.534880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.534880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.534880 (E_RNA)
where:
Base-Base interactions energy: -492.334
where: short stacking energy: -220.747
Base-Backbone interact. energy: -0.641
local terms energy: -216.560104
where:
bonds (distance) C4'-P energy: -37.495
bonds (distance) P-C4' energy: -39.526
flat angles C4'-P-C4' energy: -44.358
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -64.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -676.879857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.879857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.879857 (E_RNA)
where:
Base-Base interactions energy: -472.196
where: short stacking energy: -195.822
Base-Backbone interact. energy: 0.166
local terms energy: -204.850089
where:
bonds (distance) C4'-P energy: -42.205
bonds (distance) P-C4' energy: -38.811
flat angles C4'-P-C4' energy: -45.106
flat angles P-C4'-P energy: -27.141
tors. eta vs tors. theta energy: -51.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -627.416209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.416209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.416209 (E_RNA)
where:
Base-Base interactions energy: -422.560
where: short stacking energy: -211.299
Base-Backbone interact. energy: -0.175
local terms energy: -204.681171
where:
bonds (distance) C4'-P energy: -30.648
bonds (distance) P-C4' energy: -40.379
flat angles C4'-P-C4' energy: -46.766
flat angles P-C4'-P energy: -28.466
tors. eta vs tors. theta energy: -58.422
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: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -541.825531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.825531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.825531 (E_RNA)
where:
Base-Base interactions energy: -357.560
where: short stacking energy: -166.388
Base-Backbone interact. energy: -0.283
local terms energy: -183.981729
where:
bonds (distance) C4'-P energy: -35.084
bonds (distance) P-C4' energy: -38.635
flat angles C4'-P-C4' energy: -44.311
flat angles P-C4'-P energy: -24.669
tors. eta vs tors. theta energy: -41.283
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: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -452.848573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.848573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.848573 (E_RNA)
where:
Base-Base interactions energy: -278.872
where: short stacking energy: -149.494
Base-Backbone interact. energy: -0.246
local terms energy: -173.730296
where:
bonds (distance) C4'-P energy: -35.026
bonds (distance) P-C4' energy: -32.554
flat angles C4'-P-C4' energy: -44.658
flat angles P-C4'-P energy: -31.464
tors. eta vs tors. theta energy: -30.029
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: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -411.657000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.657000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.657000 (E_RNA)
where:
Base-Base interactions energy: -253.070
where: short stacking energy: -119.076
Base-Backbone interact. energy: 0.965
local terms energy: -159.551658
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -39.647
flat angles C4'-P-C4' energy: -42.054
flat angles P-C4'-P energy: -20.556
tors. eta vs tors. theta energy: -17.439
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: 294
Temperature: 1.300000
Total energy: -238.660130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.660130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.660130 (E_RNA)
where:
Base-Base interactions energy: -110.736
where: short stacking energy: -61.774
Base-Backbone interact. energy: -1.482
local terms energy: -126.442363
where:
bonds (distance) C4'-P energy: -31.587
bonds (distance) P-C4' energy: -44.374
flat angles C4'-P-C4' energy: -37.700
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: 4.928
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: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -179.934397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.934397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.934397 (E_RNA)
where:
Base-Base interactions energy: -58.012
where: short stacking energy: -53.486
Base-Backbone interact. energy: 0.546
local terms energy: -122.469058
where:
bonds (distance) C4'-P energy: -37.907
bonds (distance) P-C4' energy: -37.284
flat angles C4'-P-C4' energy: -34.175
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: 4.147
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: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -741.128644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.128644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.128644 (E_RNA)
where:
Base-Base interactions energy: -498.126
where: short stacking energy: -215.292
Base-Backbone interact. energy: -0.356
local terms energy: -242.646335
where:
bonds (distance) C4'-P energy: -47.075
bonds (distance) P-C4' energy: -41.908
flat angles C4'-P-C4' energy: -53.956
flat angles P-C4'-P energy: -32.808
tors. eta vs tors. theta energy: -66.898
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: 2, replica: 6
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -725.968737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.968737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.968737 (E_RNA)
where:
Base-Base interactions energy: -500.090
where: short stacking energy: -220.651
Base-Backbone interact. energy: 0.285
local terms energy: -226.163073
where:
bonds (distance) C4'-P energy: -42.669
bonds (distance) P-C4' energy: -47.355
flat angles C4'-P-C4' energy: -40.133
flat angles P-C4'-P energy: -33.362
tors. eta vs tors. theta energy: -62.643
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: 5
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -695.690956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.690956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.690956 (E_RNA)
where:
Base-Base interactions energy: -472.100
where: short stacking energy: -203.244
Base-Backbone interact. energy: 0.038
local terms energy: -223.628856
where:
bonds (distance) C4'-P energy: -36.503
bonds (distance) P-C4' energy: -40.145
flat angles C4'-P-C4' energy: -47.886
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -65.028
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: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -655.274887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.274887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.274887 (E_RNA)
where:
Base-Base interactions energy: -457.549
where: short stacking energy: -178.889
Base-Backbone interact. energy: -1.953
local terms energy: -195.773405
where:
bonds (distance) C4'-P energy: -37.839
bonds (distance) P-C4' energy: -36.297
flat angles C4'-P-C4' energy: -42.990
flat angles P-C4'-P energy: -26.494
tors. eta vs tors. theta energy: -52.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -637.361362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.361362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.361362 (E_RNA)
where:
Base-Base interactions energy: -427.821
where: short stacking energy: -216.402
Base-Backbone interact. energy: 0.977
local terms energy: -210.517755
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -41.840
flat angles C4'-P-C4' energy: -45.495
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -55.071
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: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -551.559435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.559435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.559435 (E_RNA)
where:
Base-Base interactions energy: -358.535
where: short stacking energy: -165.683
Base-Backbone interact. energy: -0.120
local terms energy: -192.904403
where:
bonds (distance) C4'-P energy: -37.998
bonds (distance) P-C4' energy: -39.092
flat angles C4'-P-C4' energy: -45.091
flat angles P-C4'-P energy: -31.671
tors. eta vs tors. theta energy: -39.052
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: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -419.401154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.401154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.401154 (E_RNA)
where:
Base-Base interactions energy: -258.657
where: short stacking energy: -122.406
Base-Backbone interact. energy: -1.089
local terms energy: -159.655531
where:
bonds (distance) C4'-P energy: -40.396
bonds (distance) P-C4' energy: -40.702
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -22.448
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: 3
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -396.549359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.549359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.549359 (E_RNA)
where:
Base-Base interactions energy: -236.528
where: short stacking energy: -113.773
Base-Backbone interact. energy: 1.801
local terms energy: -161.822613
where:
bonds (distance) C4'-P energy: -33.156
bonds (distance) P-C4' energy: -44.451
flat angles C4'-P-C4' energy: -41.551
flat angles P-C4'-P energy: -28.169
tors. eta vs tors. theta energy: -14.496
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: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -207.614939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.614939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.614939 (E_RNA)
where:
Base-Base interactions energy: -101.960
where: short stacking energy: -60.745
Base-Backbone interact. energy: 0.536
local terms energy: -106.190871
where:
bonds (distance) C4'-P energy: -33.983
bonds (distance) P-C4' energy: -37.978
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -15.030
tors. eta vs tors. theta energy: 4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -230.221540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.221540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.221540 (E_RNA)
where:
Base-Base interactions energy: -91.046
where: short stacking energy: -69.787
Base-Backbone interact. energy: 0.872
local terms energy: -140.047277
where:
bonds (distance) C4'-P energy: -33.023
bonds (distance) P-C4' energy: -34.628
flat angles C4'-P-C4' energy: -40.719
flat angles P-C4'-P energy: -21.527
tors. eta vs tors. theta energy: -10.150
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: 6
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -744.490493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.490493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.490493 (E_RNA)
where:
Base-Base interactions energy: -506.697
where: short stacking energy: -220.395
Base-Backbone interact. energy: -0.772
local terms energy: -237.022019
where:
bonds (distance) C4'-P energy: -43.974
bonds (distance) P-C4' energy: -45.769
flat angles C4'-P-C4' energy: -46.513
flat angles P-C4'-P energy: -33.682
tors. eta vs tors. theta energy: -67.084
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: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -730.171863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.171863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.171863 (E_RNA)
where:
Base-Base interactions energy: -506.065
where: short stacking energy: -209.740
Base-Backbone interact. energy: -1.029
local terms energy: -223.077692
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -33.703
flat angles C4'-P-C4' energy: -50.106
flat angles P-C4'-P energy: -30.619
tors. eta vs tors. theta energy: -63.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -682.121355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.121355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.121355 (E_RNA)
where:
Base-Base interactions energy: -471.249
where: short stacking energy: -206.133
Base-Backbone interact. energy: 1.140
local terms energy: -212.012952
where:
bonds (distance) C4'-P energy: -37.231
bonds (distance) P-C4' energy: -44.861
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -28.833
tors. eta vs tors. theta energy: -57.855
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: 296
Temperature: 1.050000
Total energy: -698.423460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.423460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.423460 (E_RNA)
where:
Base-Base interactions energy: -479.883
where: short stacking energy: -216.278
Base-Backbone interact. energy: -1.589
local terms energy: -216.952165
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -46.647
flat angles P-C4'-P energy: -25.095
tors. eta vs tors. theta energy: -65.140
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: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -623.626067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.626067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.626067 (E_RNA)
where:
Base-Base interactions energy: -413.757
where: short stacking energy: -190.178
Base-Backbone interact. energy: -0.081
local terms energy: -209.788380
where:
bonds (distance) C4'-P energy: -40.417
bonds (distance) P-C4' energy: -40.502
flat angles C4'-P-C4' energy: -43.663
flat angles P-C4'-P energy: -29.999
tors. eta vs tors. theta energy: -55.208
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: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -596.079364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.079364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.079364 (E_RNA)
where:
Base-Base interactions energy: -412.585
where: short stacking energy: -186.057
Base-Backbone interact. energy: 1.108
local terms energy: -184.603105
where:
bonds (distance) C4'-P energy: -40.361
bonds (distance) P-C4' energy: -33.353
flat angles C4'-P-C4' energy: -40.383
flat angles P-C4'-P energy: -27.929
tors. eta vs tors. theta energy: -42.577
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: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -439.262064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.262064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.262064 (E_RNA)
where:
Base-Base interactions energy: -273.406
where: short stacking energy: -138.738
Base-Backbone interact. energy: -1.067
local terms energy: -164.788667
where:
bonds (distance) C4'-P energy: -41.090
bonds (distance) P-C4' energy: -36.209
flat angles C4'-P-C4' energy: -32.945
flat angles P-C4'-P energy: -29.881
tors. eta vs tors. theta energy: -24.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -440.428088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.428088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.428088 (E_RNA)
where:
Base-Base interactions energy: -287.358
where: short stacking energy: -128.198
Base-Backbone interact. energy: -0.774
local terms energy: -152.295761
where:
bonds (distance) C4'-P energy: -35.404
bonds (distance) P-C4' energy: -41.134
flat angles C4'-P-C4' energy: -36.287
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -229.305311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.305311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.305311 (E_RNA)
where:
Base-Base interactions energy: -114.449
where: short stacking energy: -77.017
Base-Backbone interact. energy: -2.430
local terms energy: -112.425714
where:
bonds (distance) C4'-P energy: -30.311
bonds (distance) P-C4' energy: -40.539
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -28.989
tors. eta vs tors. theta energy: 3.762
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: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -196.233982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.233982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.233982 (E_RNA)
where:
Base-Base interactions energy: -76.892
where: short stacking energy: -48.095
Base-Backbone interact. energy: -0.711
local terms energy: -118.631511
where:
bonds (distance) C4'-P energy: -40.894
bonds (distance) P-C4' energy: -41.997
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: 6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -739.577588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.577588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.577588 (E_RNA)
where:
Base-Base interactions energy: -500.650
where: short stacking energy: -232.228
Base-Backbone interact. energy: -0.439
local terms energy: -238.488972
where:
bonds (distance) C4'-P energy: -41.260
bonds (distance) P-C4' energy: -46.360
flat angles C4'-P-C4' energy: -49.647
flat angles P-C4'-P energy: -33.338
tors. eta vs tors. theta energy: -67.885
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: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -729.061386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.061386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.061386 (E_RNA)
where:
Base-Base interactions energy: -493.084
where: short stacking energy: -207.464
Base-Backbone interact. energy: -0.209
local terms energy: -235.768908
where:
bonds (distance) C4'-P energy: -43.626
bonds (distance) P-C4' energy: -46.205
flat angles C4'-P-C4' energy: -54.128
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: -61.710
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: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -702.470762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.470762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.470762 (E_RNA)
where:
Base-Base interactions energy: -481.686
where: short stacking energy: -207.377
Base-Backbone interact. energy: -1.050
local terms energy: -219.734301
where:
bonds (distance) C4'-P energy: -42.692
bonds (distance) P-C4' energy: -47.463
flat angles C4'-P-C4' energy: -44.005
flat angles P-C4'-P energy: -30.044
tors. eta vs tors. theta energy: -55.531
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: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -686.698281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.698281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.698281 (E_RNA)
where:
Base-Base interactions energy: -464.828
where: short stacking energy: -210.959
Base-Backbone interact. energy: 1.706
local terms energy: -223.576066
where:
bonds (distance) C4'-P energy: -40.307
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -49.407
flat angles P-C4'-P energy: -30.567
tors. eta vs tors. theta energy: -66.569
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: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -621.049015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.049015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.049015 (E_RNA)
where:
Base-Base interactions energy: -420.767
where: short stacking energy: -193.240
Base-Backbone interact. energy: -0.867
local terms energy: -199.415560
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -46.277
flat angles C4'-P-C4' energy: -42.995
flat angles P-C4'-P energy: -27.359
tors. eta vs tors. theta energy: -49.201
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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -589.064055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.064055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.064055 (E_RNA)
where:
Base-Base interactions energy: -392.323
where: short stacking energy: -155.165
Base-Backbone interact. energy: -0.817
local terms energy: -195.923860
where:
bonds (distance) C4'-P energy: -43.100
bonds (distance) P-C4' energy: -49.082
flat angles C4'-P-C4' energy: -36.684
flat angles P-C4'-P energy: -26.846
tors. eta vs tors. theta energy: -40.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -435.775154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.775154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.775154 (E_RNA)
where:
Base-Base interactions energy: -264.402
where: short stacking energy: -139.746
Base-Backbone interact. energy: 1.465
local terms energy: -172.838553
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -41.884
flat angles C4'-P-C4' energy: -40.801
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -33.472
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: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -434.700207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.700207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.700207 (E_RNA)
where:
Base-Base interactions energy: -269.589
where: short stacking energy: -135.304
Base-Backbone interact. energy: -0.043
local terms energy: -165.068586
where:
bonds (distance) C4'-P energy: -35.181
bonds (distance) P-C4' energy: -42.288
flat angles C4'-P-C4' energy: -35.337
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -34.595
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: 297
Temperature: 1.300000
Total energy: -228.788363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.788363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.788363 (E_RNA)
where:
Base-Base interactions energy: -94.050
where: short stacking energy: -81.269
Base-Backbone interact. energy: -0.406
local terms energy: -134.332771
where:
bonds (distance) C4'-P energy: -40.839
bonds (distance) P-C4' energy: -34.134
flat angles C4'-P-C4' energy: -33.988
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -186.760974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.760974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.760974 (E_RNA)
where:
Base-Base interactions energy: -78.441
where: short stacking energy: -63.090
Base-Backbone interact. energy: 4.800
local terms energy: -113.119189
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -33.664
flat angles C4'-P-C4' energy: -39.083
flat angles P-C4'-P energy: -20.541
tors. eta vs tors. theta energy: 9.622
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: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -733.764124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.764124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.764124 (E_RNA)
where:
Base-Base interactions energy: -506.478
where: short stacking energy: -215.817
Base-Backbone interact. energy: -0.256
local terms energy: -227.030093
where:
bonds (distance) C4'-P energy: -39.900
bonds (distance) P-C4' energy: -38.310
flat angles C4'-P-C4' energy: -50.960
flat angles P-C4'-P energy: -34.728
tors. eta vs tors. theta energy: -63.133
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: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -729.501755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.501755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.501755 (E_RNA)
where:
Base-Base interactions energy: -498.964
where: short stacking energy: -229.926
Base-Backbone interact. energy: -0.011
local terms energy: -230.527041
where:
bonds (distance) C4'-P energy: -43.129
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -48.776
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -67.298
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: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -684.129716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.129716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.129716 (E_RNA)
where:
Base-Base interactions energy: -472.314
where: short stacking energy: -216.403
Base-Backbone interact. energy: -0.620
local terms energy: -211.195087
where:
bonds (distance) C4'-P energy: -31.366
bonds (distance) P-C4' energy: -45.267
flat angles C4'-P-C4' energy: -49.488
flat angles P-C4'-P energy: -32.679
tors. eta vs tors. theta energy: -52.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -688.802573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.802573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.802573 (E_RNA)
where:
Base-Base interactions energy: -472.338
where: short stacking energy: -202.766
Base-Backbone interact. energy: -0.909
local terms energy: -215.555883
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -44.922
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -67.373
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: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -628.327006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.327006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.327006 (E_RNA)
where:
Base-Base interactions energy: -422.975
where: short stacking energy: -199.964
Base-Backbone interact. energy: 0.064
local terms energy: -205.416526
where:
bonds (distance) C4'-P energy: -35.965
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -46.963
flat angles P-C4'-P energy: -28.830
tors. eta vs tors. theta energy: -52.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -596.383257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.383257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.383257 (E_RNA)
where:
Base-Base interactions energy: -413.580
where: short stacking energy: -183.444
Base-Backbone interact. energy: -1.488
local terms energy: -181.315481
where:
bonds (distance) C4'-P energy: -33.361
bonds (distance) P-C4' energy: -37.149
flat angles C4'-P-C4' energy: -41.395
flat angles P-C4'-P energy: -28.320
tors. eta vs tors. theta energy: -41.090
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: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -468.764743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.764743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.764743 (E_RNA)
where:
Base-Base interactions energy: -316.392
where: short stacking energy: -112.547
Base-Backbone interact. energy: -1.188
local terms energy: -151.184404
where:
bonds (distance) C4'-P energy: -31.650
bonds (distance) P-C4' energy: -31.204
flat angles C4'-P-C4' energy: -36.032
flat angles P-C4'-P energy: -29.997
tors. eta vs tors. theta energy: -22.302
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: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -393.509932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.509932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.509932 (E_RNA)
where:
Base-Base interactions energy: -234.184
where: short stacking energy: -102.722
Base-Backbone interact. energy: 1.150
local terms energy: -160.475949
where:
bonds (distance) C4'-P energy: -45.466
bonds (distance) P-C4' energy: -36.868
flat angles C4'-P-C4' energy: -36.616
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -17.632
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: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -201.313650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.313650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.313650 (E_RNA)
where:
Base-Base interactions energy: -74.802
where: short stacking energy: -66.109
Base-Backbone interact. energy: -0.149
local terms energy: -126.363248
where:
bonds (distance) C4'-P energy: -32.452
bonds (distance) P-C4' energy: -36.724
flat angles C4'-P-C4' energy: -37.618
flat angles P-C4'-P energy: -20.488
tors. eta vs tors. theta energy: 0.918
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: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -216.588276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.588276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.588276 (E_RNA)
where:
Base-Base interactions energy: -85.967
where: short stacking energy: -57.839
Base-Backbone interact. energy: -1.182
local terms energy: -129.439198
where:
bonds (distance) C4'-P energy: -39.878
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -22.699
tors. eta vs tors. theta energy: -6.947
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: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -748.928369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.928369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.928369 (E_RNA)
where:
Base-Base interactions energy: -515.910
where: short stacking energy: -234.135
Base-Backbone interact. energy: -0.265
local terms energy: -232.753732
where:
bonds (distance) C4'-P energy: -41.671
bonds (distance) P-C4' energy: -40.292
flat angles C4'-P-C4' energy: -49.640
flat angles P-C4'-P energy: -31.412
tors. eta vs tors. theta energy: -69.739
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: 4
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -708.531981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.531981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.531981 (E_RNA)
where:
Base-Base interactions energy: -479.053
where: short stacking energy: -210.481
Base-Backbone interact. energy: 0.714
local terms energy: -230.192976
where:
bonds (distance) C4'-P energy: -48.199
bonds (distance) P-C4' energy: -37.438
flat angles C4'-P-C4' energy: -43.501
flat angles P-C4'-P energy: -40.824
tors. eta vs tors. theta energy: -60.231
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: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -702.270837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.270837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.270837 (E_RNA)
where:
Base-Base interactions energy: -475.296
where: short stacking energy: -207.600
Base-Backbone interact. energy: 1.559
local terms energy: -228.533852
where:
bonds (distance) C4'-P energy: -40.287
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -47.193
flat angles P-C4'-P energy: -35.756
tors. eta vs tors. theta energy: -60.968
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: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -693.737835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.737835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.737835 (E_RNA)
where:
Base-Base interactions energy: -470.043
where: short stacking energy: -195.714
Base-Backbone interact. energy: -1.345
local terms energy: -222.350032
where:
bonds (distance) C4'-P energy: -37.480
bonds (distance) P-C4' energy: -34.682
flat angles C4'-P-C4' energy: -50.797
flat angles P-C4'-P energy: -31.203
tors. eta vs tors. theta energy: -68.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -618.873315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.873315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.873315 (E_RNA)
where:
Base-Base interactions energy: -420.619
where: short stacking energy: -198.587
Base-Backbone interact. energy: 0.103
local terms energy: -198.357770
where:
bonds (distance) C4'-P energy: -33.541
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -36.799
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -56.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -585.019125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.019125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.019125 (E_RNA)
where:
Base-Base interactions energy: -379.521
where: short stacking energy: -180.273
Base-Backbone interact. energy: -0.679
local terms energy: -204.818979
where:
bonds (distance) C4'-P energy: -43.791
bonds (distance) P-C4' energy: -44.221
flat angles C4'-P-C4' energy: -45.625
flat angles P-C4'-P energy: -26.550
tors. eta vs tors. theta energy: -44.633
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: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -537.723767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.723767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.723767 (E_RNA)
where:
Base-Base interactions energy: -349.315
where: short stacking energy: -157.384
Base-Backbone interact. energy: -2.238
local terms energy: -186.170888
where:
bonds (distance) C4'-P energy: -33.594
bonds (distance) P-C4' energy: -44.656
flat angles C4'-P-C4' energy: -40.410
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -42.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -334.029817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.029817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.029817 (E_RNA)
where:
Base-Base interactions energy: -193.349
where: short stacking energy: -103.152
Base-Backbone interact. energy: 0.518
local terms energy: -141.198588
where:
bonds (distance) C4'-P energy: -34.437
bonds (distance) P-C4' energy: -32.899
flat angles C4'-P-C4' energy: -35.998
flat angles P-C4'-P energy: -21.108
tors. eta vs tors. theta energy: -16.757
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: 9, replica: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -226.387568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.387568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.387568 (E_RNA)
where:
Base-Base interactions energy: -109.774
where: short stacking energy: -82.062
Base-Backbone interact. energy: -1.116
local terms energy: -115.497030
where:
bonds (distance) C4'-P energy: -27.274
bonds (distance) P-C4' energy: -35.499
flat angles C4'-P-C4' energy: -40.202
flat angles P-C4'-P energy: -4.079
tors. eta vs tors. theta energy: -8.442
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: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -186.380634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.380634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.380634 (E_RNA)
where:
Base-Base interactions energy: -58.946
where: short stacking energy: -57.817
Base-Backbone interact. energy: 0.212
local terms energy: -127.645862
where:
bonds (distance) C4'-P energy: -35.467
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -38.314
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: 1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -751.406671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.406671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.406671 (E_RNA)
where:
Base-Base interactions energy: -516.331
where: short stacking energy: -228.028
Base-Backbone interact. energy: -1.601
local terms energy: -233.474922
where:
bonds (distance) C4'-P energy: -35.660
bonds (distance) P-C4' energy: -52.833
flat angles C4'-P-C4' energy: -49.549
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -67.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -706.769852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.769852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.769852 (E_RNA)
where:
Base-Base interactions energy: -485.894
where: short stacking energy: -224.509
Base-Backbone interact. energy: -0.969
local terms energy: -219.906930
where:
bonds (distance) C4'-P energy: -42.541
bonds (distance) P-C4' energy: -40.790
flat angles C4'-P-C4' energy: -43.674
flat angles P-C4'-P energy: -29.608
tors. eta vs tors. theta energy: -63.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -690.253463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.253463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.253463 (E_RNA)
where:
Base-Base interactions energy: -477.379
where: short stacking energy: -206.455
Base-Backbone interact. energy: 0.665
local terms energy: -213.539232
where:
bonds (distance) C4'-P energy: -29.461
bonds (distance) P-C4' energy: -39.388
flat angles C4'-P-C4' energy: -50.790
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -61.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -692.822666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.822666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.822666 (E_RNA)
where:
Base-Base interactions energy: -474.785
where: short stacking energy: -209.673
Base-Backbone interact. energy: -3.469
local terms energy: -214.568988
where:
bonds (distance) C4'-P energy: -38.683
bonds (distance) P-C4' energy: -31.390
flat angles C4'-P-C4' energy: -49.170
flat angles P-C4'-P energy: -29.682
tors. eta vs tors. theta energy: -65.643
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: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -629.342406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.342406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.342406 (E_RNA)
where:
Base-Base interactions energy: -420.411
where: short stacking energy: -201.074
Base-Backbone interact. energy: -0.577
local terms energy: -208.354424
where:
bonds (distance) C4'-P energy: -34.772
bonds (distance) P-C4' energy: -36.344
flat angles C4'-P-C4' energy: -47.137
flat angles P-C4'-P energy: -35.134
tors. eta vs tors. theta energy: -54.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -587.091930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.091930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.091930 (E_RNA)
where:
Base-Base interactions energy: -406.859
where: short stacking energy: -184.542
Base-Backbone interact. energy: -0.081
local terms energy: -180.151664
where:
bonds (distance) C4'-P energy: -38.247
bonds (distance) P-C4' energy: -38.204
flat angles C4'-P-C4' energy: -34.041
flat angles P-C4'-P energy: -23.364
tors. eta vs tors. theta energy: -46.296
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: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -520.037548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.037548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.037548 (E_RNA)
where:
Base-Base interactions energy: -351.248
where: short stacking energy: -150.851
Base-Backbone interact. energy: -1.603
local terms energy: -167.186209
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -39.147
flat angles C4'-P-C4' energy: -46.228
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -35.236
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: 8, replica: 3
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -324.204367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.204367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.204367 (E_RNA)
where:
Base-Base interactions energy: -179.522
where: short stacking energy: -107.428
Base-Backbone interact. energy: -1.129
local terms energy: -143.553537
where:
bonds (distance) C4'-P energy: -32.862
bonds (distance) P-C4' energy: -35.506
flat angles C4'-P-C4' energy: -41.213
flat angles P-C4'-P energy: -24.414
tors. eta vs tors. theta energy: -9.558
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: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -235.503257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.503257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.503257 (E_RNA)
where:
Base-Base interactions energy: -90.901
where: short stacking energy: -82.735
Base-Backbone interact. energy: -1.323
local terms energy: -143.279973
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -38.331
flat angles C4'-P-C4' energy: -35.128
flat angles P-C4'-P energy: -24.876
tors. eta vs tors. theta energy: -4.348
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: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -192.238263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.238263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.238263 (E_RNA)
where:
Base-Base interactions energy: -71.538
where: short stacking energy: -66.397
Base-Backbone interact. energy: -0.781
local terms energy: -119.919439
where:
bonds (distance) C4'-P energy: -32.800
bonds (distance) P-C4' energy: -39.215
flat angles C4'-P-C4' energy: -39.584
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: 6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -750.692630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.692630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.692630 (E_RNA)
where:
Base-Base interactions energy: -520.666
where: short stacking energy: -222.859
Base-Backbone interact. energy: 0.265
local terms energy: -230.292209
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -47.049
flat angles C4'-P-C4' energy: -46.772
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -63.437
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: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -692.719870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.719870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.719870 (E_RNA)
where:
Base-Base interactions energy: -473.829
where: short stacking energy: -209.540
Base-Backbone interact. energy: 2.058
local terms energy: -220.948486
where:
bonds (distance) C4'-P energy: -38.701
bonds (distance) P-C4' energy: -41.651
flat angles C4'-P-C4' energy: -45.998
flat angles P-C4'-P energy: -31.443
tors. eta vs tors. theta energy: -63.155
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: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -691.617679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.617679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.617679 (E_RNA)
where:
Base-Base interactions energy: -476.450
where: short stacking energy: -192.829
Base-Backbone interact. energy: -1.218
local terms energy: -213.949861
where:
bonds (distance) C4'-P energy: -37.875
bonds (distance) P-C4' energy: -45.402
flat angles C4'-P-C4' energy: -46.009
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -56.612
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: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -689.005154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.005154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.005154 (E_RNA)
where:
Base-Base interactions energy: -456.866
where: short stacking energy: -213.582
Base-Backbone interact. energy: -1.704
local terms energy: -230.434431
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -44.112
flat angles C4'-P-C4' energy: -47.318
flat angles P-C4'-P energy: -30.304
tors. eta vs tors. theta energy: -66.613
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: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -638.442221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.442221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.442221 (E_RNA)
where:
Base-Base interactions energy: -418.182
where: short stacking energy: -193.162
Base-Backbone interact. energy: -0.505
local terms energy: -219.754734
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -43.212
flat angles C4'-P-C4' energy: -46.909
flat angles P-C4'-P energy: -31.902
tors. eta vs tors. theta energy: -49.739
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: 6, replica: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -581.891322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.891322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.891322 (E_RNA)
where:
Base-Base interactions energy: -395.762
where: short stacking energy: -169.802
Base-Backbone interact. energy: -0.470
local terms energy: -185.659049
where:
bonds (distance) C4'-P energy: -35.309
bonds (distance) P-C4' energy: -35.693
flat angles C4'-P-C4' energy: -41.999
flat angles P-C4'-P energy: -31.352
tors. eta vs tors. theta energy: -41.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -519.386516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.386516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.386516 (E_RNA)
where:
Base-Base interactions energy: -355.208
where: short stacking energy: -159.289
Base-Backbone interact. energy: -0.359
local terms energy: -163.819049
where:
bonds (distance) C4'-P energy: -31.796
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -35.787
flat angles P-C4'-P energy: -25.484
tors. eta vs tors. theta energy: -30.451
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: 301
Temperature: 1.250000
Total energy: -310.519024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.519024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.519024 (E_RNA)
where:
Base-Base interactions energy: -164.052
where: short stacking energy: -99.688
Base-Backbone interact. energy: 2.203
local terms energy: -148.670190
where:
bonds (distance) C4'-P energy: -39.814
bonds (distance) P-C4' energy: -41.983
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -20.002
tors. eta vs tors. theta energy: -12.922
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: 9
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -209.884856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.884856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.884856 (E_RNA)
where:
Base-Base interactions energy: -94.635
where: short stacking energy: -60.974
Base-Backbone interact. energy: -0.046
local terms energy: -115.204558
where:
bonds (distance) C4'-P energy: -32.538
bonds (distance) P-C4' energy: -32.009
flat angles C4'-P-C4' energy: -37.608
flat angles P-C4'-P energy: -18.205
tors. eta vs tors. theta energy: 5.156
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: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -209.559642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.559642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.559642 (E_RNA)
where:
Base-Base interactions energy: -89.719
where: short stacking energy: -66.303
Base-Backbone interact. energy: -1.695
local terms energy: -118.145398
where:
bonds (distance) C4'-P energy: -40.134
bonds (distance) P-C4' energy: -32.887
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -743.642609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.642609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.642609 (E_RNA)
where:
Base-Base interactions energy: -514.527
where: short stacking energy: -214.546
Base-Backbone interact. energy: -2.016
local terms energy: -227.099067
where:
bonds (distance) C4'-P energy: -44.577
bonds (distance) P-C4' energy: -42.772
flat angles C4'-P-C4' energy: -48.239
flat angles P-C4'-P energy: -29.003
tors. eta vs tors. theta energy: -62.508
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: 6
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -667.975439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.975439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.975439 (E_RNA)
where:
Base-Base interactions energy: -449.694
where: short stacking energy: -196.575
Base-Backbone interact. energy: -0.814
local terms energy: -217.467176
where:
bonds (distance) C4'-P energy: -47.883
bonds (distance) P-C4' energy: -38.066
flat angles C4'-P-C4' energy: -38.111
flat angles P-C4'-P energy: -33.756
tors. eta vs tors. theta energy: -59.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -690.139428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.139428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.139428 (E_RNA)
where:
Base-Base interactions energy: -470.069
where: short stacking energy: -197.301
Base-Backbone interact. energy: -0.447
local terms energy: -219.623623
where:
bonds (distance) C4'-P energy: -45.294
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -46.441
flat angles P-C4'-P energy: -27.398
tors. eta vs tors. theta energy: -55.895
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: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -700.067532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.067532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.067532 (E_RNA)
where:
Base-Base interactions energy: -462.210
where: short stacking energy: -223.319
Base-Backbone interact. energy: 1.175
local terms energy: -239.032621
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -43.011
flat angles C4'-P-C4' energy: -45.503
flat angles P-C4'-P energy: -40.561
tors. eta vs tors. theta energy: -62.571
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: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -626.547492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.547492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.547492 (E_RNA)
where:
Base-Base interactions energy: -397.701
where: short stacking energy: -200.288
Base-Backbone interact. energy: -0.336
local terms energy: -228.511033
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -46.642
flat angles C4'-P-C4' energy: -49.177
flat angles P-C4'-P energy: -34.303
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: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -607.096268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.096268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.096268 (E_RNA)
where:
Base-Base interactions energy: -403.929
where: short stacking energy: -172.857
Base-Backbone interact. energy: -2.595
local terms energy: -200.571544
where:
bonds (distance) C4'-P energy: -38.049
bonds (distance) P-C4' energy: -41.243
flat angles C4'-P-C4' energy: -47.813
flat angles P-C4'-P energy: -23.435
tors. eta vs tors. theta energy: -50.031
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: 7, replica: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -536.322417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.322417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.322417 (E_RNA)
where:
Base-Base interactions energy: -360.795
where: short stacking energy: -172.179
Base-Backbone interact. energy: -1.328
local terms energy: -174.199080
where:
bonds (distance) C4'-P energy: -33.164
bonds (distance) P-C4' energy: -31.553
flat angles C4'-P-C4' energy: -41.822
flat angles P-C4'-P energy: -31.098
tors. eta vs tors. theta energy: -36.562
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: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -326.754966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.754966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.754966 (E_RNA)
where:
Base-Base interactions energy: -190.319
where: short stacking energy: -91.945
Base-Backbone interact. energy: -0.722
local terms energy: -135.713514
where:
bonds (distance) C4'-P energy: -32.137
bonds (distance) P-C4' energy: -41.741
flat angles C4'-P-C4' energy: -28.739
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -212.533376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.533376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.533376 (E_RNA)
where:
Base-Base interactions energy: -71.708
where: short stacking energy: -67.147
Base-Backbone interact. energy: -1.318
local terms energy: -139.507217
where:
bonds (distance) C4'-P energy: -29.332
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -42.924
flat angles P-C4'-P energy: -25.335
tors. eta vs tors. theta energy: -2.419
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: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -207.504772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.504772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.504772 (E_RNA)
where:
Base-Base interactions energy: -82.408
where: short stacking energy: -66.675
Base-Backbone interact. energy: -0.308
local terms energy: -124.788214
where:
bonds (distance) C4'-P energy: -45.363
bonds (distance) P-C4' energy: -40.249
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -19.964
tors. eta vs tors. theta energy: 10.563
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: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -758.918888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.918888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.918888 (E_RNA)
where:
Base-Base interactions energy: -524.085
where: short stacking energy: -215.364
Base-Backbone interact. energy: 0.305
local terms energy: -235.139349
where:
bonds (distance) C4'-P energy: -37.553
bonds (distance) P-C4' energy: -46.977
flat angles C4'-P-C4' energy: -51.768
flat angles P-C4'-P energy: -31.654
tors. eta vs tors. theta energy: -67.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -701.150409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.150409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.150409 (E_RNA)
where:
Base-Base interactions energy: -477.398
where: short stacking energy: -206.243
Base-Backbone interact. energy: -1.154
local terms energy: -222.598182
where:
bonds (distance) C4'-P energy: -40.062
bonds (distance) P-C4' energy: -46.118
flat angles C4'-P-C4' energy: -48.498
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: -51.897
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: 3, replica: 6
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -668.578675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.578675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.578675 (E_RNA)
where:
Base-Base interactions energy: -459.194
where: short stacking energy: -198.651
Base-Backbone interact. energy: 0.864
local terms energy: -210.249103
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -45.931
flat angles C4'-P-C4' energy: -41.359
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -53.826
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: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -692.566919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.566919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.566919 (E_RNA)
where:
Base-Base interactions energy: -478.687
where: short stacking energy: -213.443
Base-Backbone interact. energy: -2.571
local terms energy: -211.308735
where:
bonds (distance) C4'-P energy: -35.250
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -47.573
flat angles P-C4'-P energy: -38.186
tors. eta vs tors. theta energy: -62.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -632.514003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.514003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.514003 (E_RNA)
where:
Base-Base interactions energy: -418.694
where: short stacking energy: -177.370
Base-Backbone interact. energy: 1.891
local terms energy: -215.711510
where:
bonds (distance) C4'-P energy: -35.468
bonds (distance) P-C4' energy: -46.732
flat angles C4'-P-C4' energy: -43.069
flat angles P-C4'-P energy: -35.973
tors. eta vs tors. theta energy: -54.470
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: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -606.043921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.043921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.043921 (E_RNA)
where:
Base-Base interactions energy: -411.413
where: short stacking energy: -195.211
Base-Backbone interact. energy: -1.266
local terms energy: -193.364617
where:
bonds (distance) C4'-P energy: -37.703
bonds (distance) P-C4' energy: -33.243
flat angles C4'-P-C4' energy: -39.049
flat angles P-C4'-P energy: -36.840
tors. eta vs tors. theta energy: -46.530
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: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -492.944975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.944975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.944975 (E_RNA)
where:
Base-Base interactions energy: -306.798
where: short stacking energy: -149.020
Base-Backbone interact. energy: 1.568
local terms energy: -187.715332
where:
bonds (distance) C4'-P energy: -43.812
bonds (distance) P-C4' energy: -37.662
flat angles C4'-P-C4' energy: -40.914
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -40.279
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: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -361.041581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.041581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.041581 (E_RNA)
where:
Base-Base interactions energy: -214.612
where: short stacking energy: -125.576
Base-Backbone interact. energy: -0.776
local terms energy: -145.653258
where:
bonds (distance) C4'-P energy: -32.586
bonds (distance) P-C4' energy: -37.657
flat angles C4'-P-C4' energy: -36.236
flat angles P-C4'-P energy: -20.501
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -218.310896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.310896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.310896 (E_RNA)
where:
Base-Base interactions energy: -79.416
where: short stacking energy: -64.826
Base-Backbone interact. energy: 1.454
local terms energy: -140.348571
where:
bonds (distance) C4'-P energy: -36.257
bonds (distance) P-C4' energy: -37.840
flat angles C4'-P-C4' energy: -36.676
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -203.748560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.748560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.748560 (E_RNA)
where:
Base-Base interactions energy: -65.732
where: short stacking energy: -62.190
Base-Backbone interact. energy: 1.853
local terms energy: -139.869955
where:
bonds (distance) C4'-P energy: -42.435
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -34.799
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -5.666
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: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -770.468420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.468420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.468420 (E_RNA)
where:
Base-Base interactions energy: -530.546
where: short stacking energy: -230.925
Base-Backbone interact. energy: -0.325
local terms energy: -239.597284
where:
bonds (distance) C4'-P energy: -42.202
bonds (distance) P-C4' energy: -43.731
flat angles C4'-P-C4' energy: -49.279
flat angles P-C4'-P energy: -35.147
tors. eta vs tors. theta energy: -69.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -716.599771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.599771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.599771 (E_RNA)
where:
Base-Base interactions energy: -483.905
where: short stacking energy: -212.037
Base-Backbone interact. energy: -1.145
local terms energy: -231.550053
where:
bonds (distance) C4'-P energy: -43.374
bonds (distance) P-C4' energy: -46.718
flat angles C4'-P-C4' energy: -42.555
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -64.862
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: 6
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -640.534294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.534294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.534294 (E_RNA)
where:
Base-Base interactions energy: -439.016
where: short stacking energy: -187.008
Base-Backbone interact. energy: -0.675
local terms energy: -200.843334
where:
bonds (distance) C4'-P energy: -39.504
bonds (distance) P-C4' energy: -41.757
flat angles C4'-P-C4' energy: -36.943
flat angles P-C4'-P energy: -32.242
tors. eta vs tors. theta energy: -50.397
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: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -670.545409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.545409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.545409 (E_RNA)
where:
Base-Base interactions energy: -460.911
where: short stacking energy: -209.656
Base-Backbone interact. energy: -0.384
local terms energy: -209.250047
where:
bonds (distance) C4'-P energy: -36.642
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -42.132
flat angles P-C4'-P energy: -32.328
tors. eta vs tors. theta energy: -58.803
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: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -610.400188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.400188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.400188 (E_RNA)
where:
Base-Base interactions energy: -420.552
where: short stacking energy: -178.844
Base-Backbone interact. energy: -0.123
local terms energy: -189.725644
where:
bonds (distance) C4'-P energy: -34.474
bonds (distance) P-C4' energy: -32.372
flat angles C4'-P-C4' energy: -45.772
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -48.037
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: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -621.973611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.973611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.973611 (E_RNA)
where:
Base-Base interactions energy: -405.093
where: short stacking energy: -197.887
Base-Backbone interact. energy: -1.701
local terms energy: -215.180015
where:
bonds (distance) C4'-P energy: -33.598
bonds (distance) P-C4' energy: -43.725
flat angles C4'-P-C4' energy: -43.898
flat angles P-C4'-P energy: -36.162
tors. eta vs tors. theta energy: -57.796
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: 7, replica: 8
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -457.673896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.673896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.673896 (E_RNA)
where:
Base-Base interactions energy: -276.529
where: short stacking energy: -133.648
Base-Backbone interact. energy: -1.231
local terms energy: -179.913604
where:
bonds (distance) C4'-P energy: -39.606
bonds (distance) P-C4' energy: -42.317
flat angles C4'-P-C4' energy: -38.708
flat angles P-C4'-P energy: -27.756
tors. eta vs tors. theta energy: -31.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -316.452430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.452430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.452430 (E_RNA)
where:
Base-Base interactions energy: -169.939
where: short stacking energy: -93.262
Base-Backbone interact. energy: -1.207
local terms energy: -145.307340
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -37.652
flat angles C4'-P-C4' energy: -34.035
flat angles P-C4'-P energy: -22.810
tors. eta vs tors. theta energy: -19.671
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: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -248.516239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.516239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.516239 (E_RNA)
where:
Base-Base interactions energy: -111.894
where: short stacking energy: -73.939
Base-Backbone interact. energy: -1.090
local terms energy: -135.532805
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -37.940
flat angles C4'-P-C4' energy: -41.106
flat angles P-C4'-P energy: -27.416
tors. eta vs tors. theta energy: -4.003
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: 304
Temperature: 1.350000
Total energy: -236.872868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.872868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.872868 (E_RNA)
where:
Base-Base interactions energy: -110.498
where: short stacking energy: -75.715
Base-Backbone interact. energy: -0.968
local terms energy: -125.406903
where:
bonds (distance) C4'-P energy: -27.966
bonds (distance) P-C4' energy: -45.990
flat angles C4'-P-C4' energy: -34.482
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -0.118
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: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -759.518636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.518636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.518636 (E_RNA)
where:
Base-Base interactions energy: -531.450
where: short stacking energy: -222.976
Base-Backbone interact. energy: -2.124
local terms energy: -225.945572
where:
bonds (distance) C4'-P energy: -38.889
bonds (distance) P-C4' energy: -36.529
flat angles C4'-P-C4' energy: -49.254
flat angles P-C4'-P energy: -31.708
tors. eta vs tors. theta energy: -69.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -729.290761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.290761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.290761 (E_RNA)
where:
Base-Base interactions energy: -506.983
where: short stacking energy: -227.159
Base-Backbone interact. energy: -0.010
local terms energy: -222.298277
where:
bonds (distance) C4'-P energy: -32.747
bonds (distance) P-C4' energy: -44.326
flat angles C4'-P-C4' energy: -49.571
flat angles P-C4'-P energy: -31.540
tors. eta vs tors. theta energy: -64.114
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: 6
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -670.079807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.079807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.079807 (E_RNA)
where:
Base-Base interactions energy: -447.479
where: short stacking energy: -206.273
Base-Backbone interact. energy: -1.643
local terms energy: -220.958168
where:
bonds (distance) C4'-P energy: -38.358
bonds (distance) P-C4' energy: -42.067
flat angles C4'-P-C4' energy: -47.108
flat angles P-C4'-P energy: -32.179
tors. eta vs tors. theta energy: -61.245
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: 7
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -639.467454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.467454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.467454 (E_RNA)
where:
Base-Base interactions energy: -436.089
where: short stacking energy: -176.893
Base-Backbone interact. energy: -0.559
local terms energy: -202.818682
where:
bonds (distance) C4'-P energy: -43.253
bonds (distance) P-C4' energy: -45.173
flat angles C4'-P-C4' energy: -40.456
flat angles P-C4'-P energy: -29.382
tors. eta vs tors. theta energy: -44.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -669.018780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.018780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.018780 (E_RNA)
where:
Base-Base interactions energy: -451.934
where: short stacking energy: -208.561
Base-Backbone interact. energy: -0.918
local terms energy: -216.166584
where:
bonds (distance) C4'-P energy: -33.767
bonds (distance) P-C4' energy: -41.747
flat angles C4'-P-C4' energy: -46.204
flat angles P-C4'-P energy: -33.120
tors. eta vs tors. theta energy: -61.328
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: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -595.759133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.759133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.759133 (E_RNA)
where:
Base-Base interactions energy: -417.440
where: short stacking energy: -202.584
Base-Backbone interact. energy: -0.147
local terms energy: -178.171926
where:
bonds (distance) C4'-P energy: -31.635
bonds (distance) P-C4' energy: -43.320
flat angles C4'-P-C4' energy: -29.929
flat angles P-C4'-P energy: -21.654
tors. eta vs tors. theta energy: -51.634
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: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -466.255806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.255806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.255806 (E_RNA)
where:
Base-Base interactions energy: -286.602
where: short stacking energy: -144.304
Base-Backbone interact. energy: 0.358
local terms energy: -180.012372
where:
bonds (distance) C4'-P energy: -36.206
bonds (distance) P-C4' energy: -45.499
flat angles C4'-P-C4' energy: -40.896
flat angles P-C4'-P energy: -24.763
tors. eta vs tors. theta energy: -32.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -302.670137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.670137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.670137 (E_RNA)
where:
Base-Base interactions energy: -157.228
where: short stacking energy: -107.117
Base-Backbone interact. energy: -0.182
local terms energy: -145.259697
where:
bonds (distance) C4'-P energy: -35.394
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -16.071
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: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -302.540217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.540217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.540217 (E_RNA)
where:
Base-Base interactions energy: -157.272
where: short stacking energy: -89.929
Base-Backbone interact. energy: -0.342
local terms energy: -144.926992
where:
bonds (distance) C4'-P energy: -36.652
bonds (distance) P-C4' energy: -39.321
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -17.802
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: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -212.558320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.558320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.558320 (E_RNA)
where:
Base-Base interactions energy: -69.039
where: short stacking energy: -65.007
Base-Backbone interact. energy: -0.831
local terms energy: -142.688497
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -44.625
flat angles C4'-P-C4' energy: -26.634
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -4.761
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: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -742.399545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.399545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.399545 (E_RNA)
where:
Base-Base interactions energy: -511.799
where: short stacking energy: -213.383
Base-Backbone interact. energy: -1.336
local terms energy: -229.264552
where:
bonds (distance) C4'-P energy: -38.742
bonds (distance) P-C4' energy: -48.506
flat angles C4'-P-C4' energy: -45.366
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: -58.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -755.957892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.957892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.957892 (E_RNA)
where:
Base-Base interactions energy: -519.401
where: short stacking energy: -222.192
Base-Backbone interact. energy: -0.403
local terms energy: -236.153204
where:
bonds (distance) C4'-P energy: -37.222
bonds (distance) P-C4' energy: -49.126
flat angles C4'-P-C4' energy: -51.429
flat angles P-C4'-P energy: -29.671
tors. eta vs tors. theta energy: -68.705
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: 3, replica: 6
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -678.730108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.730108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.730108 (E_RNA)
where:
Base-Base interactions energy: -455.989
where: short stacking energy: -197.924
Base-Backbone interact. energy: -0.419
local terms energy: -222.322300
where:
bonds (distance) C4'-P energy: -40.810
bonds (distance) P-C4' energy: -47.524
flat angles C4'-P-C4' energy: -46.726
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -57.657
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: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -643.518748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.518748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.518748 (E_RNA)
where:
Base-Base interactions energy: -425.410
where: short stacking energy: -186.808
Base-Backbone interact. energy: -0.693
local terms energy: -217.415662
where:
bonds (distance) C4'-P energy: -46.967
bonds (distance) P-C4' energy: -45.998
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -49.713
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: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -665.388011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.388011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.388011 (E_RNA)
where:
Base-Base interactions energy: -452.809
where: short stacking energy: -206.504
Base-Backbone interact. energy: -2.254
local terms energy: -210.325202
where:
bonds (distance) C4'-P energy: -43.560
bonds (distance) P-C4' energy: -42.762
flat angles C4'-P-C4' energy: -39.237
flat angles P-C4'-P energy: -27.432
tors. eta vs tors. theta energy: -57.334
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: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -606.063581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.063581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.063581 (E_RNA)
where:
Base-Base interactions energy: -414.461
where: short stacking energy: -178.183
Base-Backbone interact. energy: 0.229
local terms energy: -191.831581
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -41.059
flat angles C4'-P-C4' energy: -43.436
flat angles P-C4'-P energy: -32.088
tors. eta vs tors. theta energy: -48.891
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: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -465.972336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.972336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.972336 (E_RNA)
where:
Base-Base interactions energy: -298.284
where: short stacking energy: -150.996
Base-Backbone interact. energy: -0.333
local terms energy: -167.355282
where:
bonds (distance) C4'-P energy: -34.395
bonds (distance) P-C4' energy: -31.969
flat angles C4'-P-C4' energy: -47.676
flat angles P-C4'-P energy: -19.961
tors. eta vs tors. theta energy: -33.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -299.549845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.549845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.549845 (E_RNA)
where:
Base-Base interactions energy: -157.156
where: short stacking energy: -95.294
Base-Backbone interact. energy: -0.226
local terms energy: -142.167951
where:
bonds (distance) C4'-P energy: -35.086
bonds (distance) P-C4' energy: -48.626
flat angles C4'-P-C4' energy: -30.031
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -4.447
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: 9, replica: 3
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -316.834317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.834317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.834317 (E_RNA)
where:
Base-Base interactions energy: -164.951
where: short stacking energy: -92.143
Base-Backbone interact. energy: -1.277
local terms energy: -150.606161
where:
bonds (distance) C4'-P energy: -42.200
bonds (distance) P-C4' energy: -44.943
flat angles C4'-P-C4' energy: -44.525
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -2.458
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: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -215.635495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.635495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.635495 (E_RNA)
where:
Base-Base interactions energy: -73.616
where: short stacking energy: -73.916
Base-Backbone interact. energy: -0.344
local terms energy: -141.675535
where:
bonds (distance) C4'-P energy: -40.626
bonds (distance) P-C4' energy: -39.120
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -16.243
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: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -742.891740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.891740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.891740 (E_RNA)
where:
Base-Base interactions energy: -505.459
where: short stacking energy: -218.053
Base-Backbone interact. energy: -1.395
local terms energy: -236.038315
where:
bonds (distance) C4'-P energy: -39.748
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -50.053
flat angles P-C4'-P energy: -33.273
tors. eta vs tors. theta energy: -63.704
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: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -764.289219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.289219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.289219 (E_RNA)
where:
Base-Base interactions energy: -515.496
where: short stacking energy: -211.868
Base-Backbone interact. energy: 1.663
local terms energy: -250.456533
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -48.110
flat angles C4'-P-C4' energy: -51.228
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -64.369
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: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -697.793581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.793581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.793581 (E_RNA)
where:
Base-Base interactions energy: -482.434
where: short stacking energy: -213.708
Base-Backbone interact. energy: -1.549
local terms energy: -213.810742
where:
bonds (distance) C4'-P energy: -36.533
bonds (distance) P-C4' energy: -43.368
flat angles C4'-P-C4' energy: -39.375
flat angles P-C4'-P energy: -28.262
tors. eta vs tors. theta energy: -66.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -676.399324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.399324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.399324 (E_RNA)
where:
Base-Base interactions energy: -462.339
where: short stacking energy: -205.943
Base-Backbone interact. energy: 2.000
local terms energy: -216.060310
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -38.985
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -35.899
tors. eta vs tors. theta energy: -54.658
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: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -610.182107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.182107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.182107 (E_RNA)
where:
Base-Base interactions energy: -424.460
where: short stacking energy: -179.311
Base-Backbone interact. energy: -0.129
local terms energy: -185.592849
where:
bonds (distance) C4'-P energy: -34.191
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -32.287
tors. eta vs tors. theta energy: -48.245
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: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -600.529020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.529020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.529020 (E_RNA)
where:
Base-Base interactions energy: -409.497
where: short stacking energy: -171.505
Base-Backbone interact. energy: 2.039
local terms energy: -193.070464
where:
bonds (distance) C4'-P energy: -39.306
bonds (distance) P-C4' energy: -35.592
flat angles C4'-P-C4' energy: -42.847
flat angles P-C4'-P energy: -31.977
tors. eta vs tors. theta energy: -43.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -416.700977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.700977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.700977 (E_RNA)
where:
Base-Base interactions energy: -265.141
where: short stacking energy: -117.789
Base-Backbone interact. energy: -2.973
local terms energy: -148.587200
where:
bonds (distance) C4'-P energy: -35.123
bonds (distance) P-C4' energy: -41.106
flat angles C4'-P-C4' energy: -35.192
flat angles P-C4'-P energy: -18.176
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: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -316.484878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.484878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.484878 (E_RNA)
where:
Base-Base interactions energy: -164.870
where: short stacking energy: -95.826
Base-Backbone interact. energy: -0.053
local terms energy: -151.561946
where:
bonds (distance) C4'-P energy: -31.197
bonds (distance) P-C4' energy: -39.646
flat angles C4'-P-C4' energy: -46.567
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -13.133
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: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -297.017136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.017136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.017136 (E_RNA)
where:
Base-Base interactions energy: -151.462
where: short stacking energy: -84.458
Base-Backbone interact. energy: -0.398
local terms energy: -145.156890
where:
bonds (distance) C4'-P energy: -39.581
bonds (distance) P-C4' energy: -43.045
flat angles C4'-P-C4' energy: -31.479
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -7.561
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: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -212.839436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.839436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.839436 (E_RNA)
where:
Base-Base interactions energy: -91.842
where: short stacking energy: -74.136
Base-Backbone interact. energy: -2.552
local terms energy: -118.445795
where:
bonds (distance) C4'-P energy: -38.101
bonds (distance) P-C4' energy: -32.901
flat angles C4'-P-C4' energy: -38.983
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: 3.771
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: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -741.279887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.279887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.279887 (E_RNA)
where:
Base-Base interactions energy: -529.124
where: short stacking energy: -211.215
Base-Backbone interact. energy: -0.950
local terms energy: -211.205558
where:
bonds (distance) C4'-P energy: -46.457
bonds (distance) P-C4' energy: -44.543
flat angles C4'-P-C4' energy: -40.347
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: -60.665
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: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -723.182261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.182261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.182261 (E_RNA)
where:
Base-Base interactions energy: -490.405
where: short stacking energy: -208.756
Base-Backbone interact. energy: -0.473
local terms energy: -232.304921
where:
bonds (distance) C4'-P energy: -42.609
bonds (distance) P-C4' energy: -49.159
flat angles C4'-P-C4' energy: -46.442
flat angles P-C4'-P energy: -34.981
tors. eta vs tors. theta energy: -59.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -711.908837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.908837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.908837 (E_RNA)
where:
Base-Base interactions energy: -501.587
where: short stacking energy: -218.190
Base-Backbone interact. energy: -2.220
local terms energy: -208.102087
where:
bonds (distance) C4'-P energy: -37.957
bonds (distance) P-C4' energy: -38.888
flat angles C4'-P-C4' energy: -41.739
flat angles P-C4'-P energy: -29.010
tors. eta vs tors. theta energy: -60.508
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: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -671.508605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.508605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.508605 (E_RNA)
where:
Base-Base interactions energy: -459.170
where: short stacking energy: -189.375
Base-Backbone interact. energy: 1.680
local terms energy: -214.018737
where:
bonds (distance) C4'-P energy: -39.799
bonds (distance) P-C4' energy: -47.640
flat angles C4'-P-C4' energy: -44.025
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -55.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -613.959048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.959048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.959048 (E_RNA)
where:
Base-Base interactions energy: -421.132
where: short stacking energy: -186.472
Base-Backbone interact. energy: 1.769
local terms energy: -194.595870
where:
bonds (distance) C4'-P energy: -29.501
bonds (distance) P-C4' energy: -34.773
flat angles C4'-P-C4' energy: -41.319
flat angles P-C4'-P energy: -33.273
tors. eta vs tors. theta energy: -55.730
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: 308
Temperature: 1.150000
Total energy: -576.130051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.130051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.130051 (E_RNA)
where:
Base-Base interactions energy: -391.261
where: short stacking energy: -172.263
Base-Backbone interact. energy: -0.383
local terms energy: -184.486070
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -41.524
flat angles C4'-P-C4' energy: -37.113
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: -41.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -332.554310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.554310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.554310 (E_RNA)
where:
Base-Base interactions energy: -175.629
where: short stacking energy: -98.425
Base-Backbone interact. energy: -0.789
local terms energy: -156.136307
where:
bonds (distance) C4'-P energy: -44.091
bonds (distance) P-C4' energy: -31.804
flat angles C4'-P-C4' energy: -36.169
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -13.617
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: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -392.021151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.021151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.021151 (E_RNA)
where:
Base-Base interactions energy: -246.440
where: short stacking energy: -123.064
Base-Backbone interact. energy: -1.380
local terms energy: -144.200568
where:
bonds (distance) C4'-P energy: -22.563
bonds (distance) P-C4' energy: -41.550
flat angles C4'-P-C4' energy: -37.854
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -21.995
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: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -219.650008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.650008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.650008 (E_RNA)
where:
Base-Base interactions energy: -69.638
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.465
local terms energy: -149.546747
where:
bonds (distance) C4'-P energy: -43.596
bonds (distance) P-C4' energy: -34.572
flat angles C4'-P-C4' energy: -34.582
flat angles P-C4'-P energy: -29.291
tors. eta vs tors. theta energy: -7.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -258.006061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.006061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.006061 (E_RNA)
where:
Base-Base interactions energy: -129.805
where: short stacking energy: -64.210
Base-Backbone interact. energy: -0.589
local terms energy: -127.612361
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -40.821
flat angles C4'-P-C4' energy: -35.716
flat angles P-C4'-P energy: -17.853
tors. eta vs tors. theta energy: -0.705
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: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -762.975000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.975000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.975000 (E_RNA)
where:
Base-Base interactions energy: -522.674
where: short stacking energy: -224.189
Base-Backbone interact. energy: -1.481
local terms energy: -238.819250
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -47.982
flat angles C4'-P-C4' energy: -45.818
flat angles P-C4'-P energy: -34.787
tors. eta vs tors. theta energy: -64.129
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: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -737.797090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.797090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.797090 (E_RNA)
where:
Base-Base interactions energy: -493.637
where: short stacking energy: -221.065
Base-Backbone interact. energy: 0.237
local terms energy: -244.396726
where:
bonds (distance) C4'-P energy: -50.541
bonds (distance) P-C4' energy: -46.845
flat angles C4'-P-C4' energy: -49.192
flat angles P-C4'-P energy: -34.152
tors. eta vs tors. theta energy: -63.666
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: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -697.643006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.643006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.643006 (E_RNA)
where:
Base-Base interactions energy: -483.026
where: short stacking energy: -211.052
Base-Backbone interact. energy: -0.682
local terms energy: -213.935072
where:
bonds (distance) C4'-P energy: -37.560
bonds (distance) P-C4' energy: -44.789
flat angles C4'-P-C4' energy: -36.612
flat angles P-C4'-P energy: -34.021
tors. eta vs tors. theta energy: -60.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -681.332604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.332604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.332604 (E_RNA)
where:
Base-Base interactions energy: -468.293
where: short stacking energy: -204.561
Base-Backbone interact. energy: 4.654
local terms energy: -217.692973
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -40.967
flat angles C4'-P-C4' energy: -48.030
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -59.828
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: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -626.657921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.657921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.657921 (E_RNA)
where:
Base-Base interactions energy: -419.307
where: short stacking energy: -180.349
Base-Backbone interact. energy: -0.434
local terms energy: -206.917068
where:
bonds (distance) C4'-P energy: -34.590
bonds (distance) P-C4' energy: -46.646
flat angles C4'-P-C4' energy: -44.770
flat angles P-C4'-P energy: -31.116
tors. eta vs tors. theta energy: -49.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -618.263358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.263358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.263358 (E_RNA)
where:
Base-Base interactions energy: -419.908
where: short stacking energy: -193.501
Base-Backbone interact. energy: -0.156
local terms energy: -198.199869
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -39.447
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -51.896
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: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -331.901398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.901398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.901398 (E_RNA)
where:
Base-Base interactions energy: -163.061
where: short stacking energy: -102.468
Base-Backbone interact. energy: -0.182
local terms energy: -168.657841
where:
bonds (distance) C4'-P energy: -46.824
bonds (distance) P-C4' energy: -48.626
flat angles C4'-P-C4' energy: -36.585
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -11.094
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: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -381.845711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.845711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.845711 (E_RNA)
where:
Base-Base interactions energy: -213.790
where: short stacking energy: -116.075
Base-Backbone interact. energy: -0.405
local terms energy: -167.651180
where:
bonds (distance) C4'-P energy: -41.742
bonds (distance) P-C4' energy: -39.168
flat angles C4'-P-C4' energy: -39.257
flat angles P-C4'-P energy: -27.619
tors. eta vs tors. theta energy: -19.866
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: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -209.129337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.129337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.129337 (E_RNA)
where:
Base-Base interactions energy: -76.092
where: short stacking energy: -73.102
Base-Backbone interact. energy: 6.961
local terms energy: -139.998661
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -45.708
flat angles C4'-P-C4' energy: -34.147
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -5.317
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: 10, replica: 9
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -279.951633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.951633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.951633 (E_RNA)
where:
Base-Base interactions energy: -139.034
where: short stacking energy: -74.083
Base-Backbone interact. energy: 0.105
local terms energy: -141.023295
where:
bonds (distance) C4'-P energy: -41.718
bonds (distance) P-C4' energy: -39.980
flat angles C4'-P-C4' energy: -34.757
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: 1.731
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: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -756.719216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.719216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.719216 (E_RNA)
where:
Base-Base interactions energy: -527.058
where: short stacking energy: -232.880
Base-Backbone interact. energy: -0.989
local terms energy: -228.672576
where:
bonds (distance) C4'-P energy: -47.021
bonds (distance) P-C4' energy: -44.348
flat angles C4'-P-C4' energy: -43.080
flat angles P-C4'-P energy: -28.763
tors. eta vs tors. theta energy: -65.460
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: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -715.029564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.029564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.029564 (E_RNA)
where:
Base-Base interactions energy: -488.482
where: short stacking energy: -206.844
Base-Backbone interact. energy: -0.838
local terms energy: -225.709614
where:
bonds (distance) C4'-P energy: -47.237
bonds (distance) P-C4' energy: -44.157
flat angles C4'-P-C4' energy: -47.769
flat angles P-C4'-P energy: -32.199
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: 3, replica: 5
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -694.508189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.508189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.508189 (E_RNA)
where:
Base-Base interactions energy: -472.422
where: short stacking energy: -212.327
Base-Backbone interact. energy: -0.276
local terms energy: -221.810784
where:
bonds (distance) C4'-P energy: -40.995
bonds (distance) P-C4' energy: -43.394
flat angles C4'-P-C4' energy: -47.367
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: -61.362
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: 310
Temperature: 1.050000
Total energy: -646.045353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.045353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.045353 (E_RNA)
where:
Base-Base interactions energy: -439.122
where: short stacking energy: -191.449
Base-Backbone interact. energy: -0.887
local terms energy: -206.035722
where:
bonds (distance) C4'-P energy: -31.543
bonds (distance) P-C4' energy: -43.622
flat angles C4'-P-C4' energy: -34.785
flat angles P-C4'-P energy: -38.361
tors. eta vs tors. theta energy: -57.725
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: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -633.503335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.503335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.503335 (E_RNA)
where:
Base-Base interactions energy: -432.688
where: short stacking energy: -197.785
Base-Backbone interact. energy: -0.229
local terms energy: -200.586471
where:
bonds (distance) C4'-P energy: -39.483
bonds (distance) P-C4' energy: -32.183
flat angles C4'-P-C4' energy: -48.548
flat angles P-C4'-P energy: -28.763
tors. eta vs tors. theta energy: -51.610
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: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -603.647725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.647725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.647725 (E_RNA)
where:
Base-Base interactions energy: -418.305
where: short stacking energy: -192.539
Base-Backbone interact. energy: -1.363
local terms energy: -183.980054
where:
bonds (distance) C4'-P energy: -31.159
bonds (distance) P-C4' energy: -31.023
flat angles C4'-P-C4' energy: -47.496
flat angles P-C4'-P energy: -29.854
tors. eta vs tors. theta energy: -44.447
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: 7, replica: 8
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -447.141725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.141725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.141725 (E_RNA)
where:
Base-Base interactions energy: -262.562
where: short stacking energy: -121.583
Base-Backbone interact. energy: -0.513
local terms energy: -184.066336
where:
bonds (distance) C4'-P energy: -45.802
bonds (distance) P-C4' energy: -43.006
flat angles C4'-P-C4' energy: -36.035
flat angles P-C4'-P energy: -30.372
tors. eta vs tors. theta energy: -28.851
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: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -327.250878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.250878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.250878 (E_RNA)
where:
Base-Base interactions energy: -186.020
where: short stacking energy: -114.010
Base-Backbone interact. energy: -1.642
local terms energy: -139.589621
where:
bonds (distance) C4'-P energy: -35.017
bonds (distance) P-C4' energy: -38.708
flat angles C4'-P-C4' energy: -26.503
flat angles P-C4'-P energy: -26.741
tors. eta vs tors. theta energy: -12.621
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: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -223.610452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.610452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.610452 (E_RNA)
where:
Base-Base interactions energy: -94.936
where: short stacking energy: -59.393
Base-Backbone interact. energy: -0.254
local terms energy: -128.420100
where:
bonds (distance) C4'-P energy: -33.889
bonds (distance) P-C4' energy: -43.040
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -24.965
tors. eta vs tors. theta energy: -0.430
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: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -211.658659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.658659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.658659 (E_RNA)
where:
Base-Base interactions energy: -86.951
where: short stacking energy: -72.356
Base-Backbone interact. energy: -0.516
local terms energy: -124.191766
where:
bonds (distance) C4'-P energy: -34.212
bonds (distance) P-C4' energy: -37.205
flat angles C4'-P-C4' energy: -22.557
flat angles P-C4'-P energy: -26.425
tors. eta vs tors. theta energy: -3.793
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: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -757.694095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.694095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.694095 (E_RNA)
where:
Base-Base interactions energy: -524.401
where: short stacking energy: -229.857
Base-Backbone interact. energy: -1.051
local terms energy: -232.242234
where:
bonds (distance) C4'-P energy: -41.327
bonds (distance) P-C4' energy: -47.441
flat angles C4'-P-C4' energy: -45.314
flat angles P-C4'-P energy: -31.031
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: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -734.052804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.052804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.052804 (E_RNA)
where:
Base-Base interactions energy: -500.159
where: short stacking energy: -220.096
Base-Backbone interact. energy: -0.488
local terms energy: -233.405234
where:
bonds (distance) C4'-P energy: -39.010
bonds (distance) P-C4' energy: -48.091
flat angles C4'-P-C4' energy: -48.770
flat angles P-C4'-P energy: -33.001
tors. eta vs tors. theta energy: -64.533
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: 3, replica: 5
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -680.664916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.664916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.664916 (E_RNA)
where:
Base-Base interactions energy: -461.202
where: short stacking energy: -198.771
Base-Backbone interact. energy: -0.070
local terms energy: -219.392330
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -43.284
flat angles C4'-P-C4' energy: -50.184
flat angles P-C4'-P energy: -30.137
tors. eta vs tors. theta energy: -55.061
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: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -672.350963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.350963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.350963 (E_RNA)
where:
Base-Base interactions energy: -474.739
where: short stacking energy: -203.292
Base-Backbone interact. energy: -0.032
local terms energy: -197.579945
where:
bonds (distance) C4'-P energy: -39.356
bonds (distance) P-C4' energy: -28.814
flat angles C4'-P-C4' energy: -40.399
flat angles P-C4'-P energy: -31.181
tors. eta vs tors. theta energy: -57.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -612.084743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.084743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.084743 (E_RNA)
where:
Base-Base interactions energy: -416.781
where: short stacking energy: -178.022
Base-Backbone interact. energy: -0.350
local terms energy: -194.953325
where:
bonds (distance) C4'-P energy: -39.023
bonds (distance) P-C4' energy: -36.837
flat angles C4'-P-C4' energy: -43.556
flat angles P-C4'-P energy: -25.282
tors. eta vs tors. theta energy: -50.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -582.540836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.540836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.540836 (E_RNA)
where:
Base-Base interactions energy: -401.158
where: short stacking energy: -182.583
Base-Backbone interact. energy: 0.507
local terms energy: -181.889908
where:
bonds (distance) C4'-P energy: -35.031
bonds (distance) P-C4' energy: -37.254
flat angles C4'-P-C4' energy: -40.149
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: -47.816
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: 7, replica: 8
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -443.274778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.274778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.274778 (E_RNA)
where:
Base-Base interactions energy: -276.087
where: short stacking energy: -149.710
Base-Backbone interact. energy: -1.072
local terms energy: -166.116274
where:
bonds (distance) C4'-P energy: -24.972
bonds (distance) P-C4' energy: -41.040
flat angles C4'-P-C4' energy: -38.730
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -35.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -317.946527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.946527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.946527 (E_RNA)
where:
Base-Base interactions energy: -158.822
where: short stacking energy: -93.762
Base-Backbone interact. energy: -0.946
local terms energy: -158.178584
where:
bonds (distance) C4'-P energy: -33.923
bonds (distance) P-C4' energy: -51.104
flat angles C4'-P-C4' energy: -40.403
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -13.113
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: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -194.723220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.723220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.723220 (E_RNA)
where:
Base-Base interactions energy: -66.408
where: short stacking energy: -66.321
Base-Backbone interact. energy: 2.423
local terms energy: -130.738050
where:
bonds (distance) C4'-P energy: -38.452
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -40.668
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: 1.189
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: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -211.779857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.779857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.779857 (E_RNA)
where:
Base-Base interactions energy: -57.954
where: short stacking energy: -57.444
Base-Backbone interact. energy: -1.353
local terms energy: -152.472549
where:
bonds (distance) C4'-P energy: -36.743
bonds (distance) P-C4' energy: -45.406
flat angles C4'-P-C4' energy: -33.457
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -759.469948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.469948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.469948 (E_RNA)
where:
Base-Base interactions energy: -538.562
where: short stacking energy: -222.001
Base-Backbone interact. energy: -1.461
local terms energy: -219.446190
where:
bonds (distance) C4'-P energy: -43.588
bonds (distance) P-C4' energy: -37.059
flat angles C4'-P-C4' energy: -45.723
flat angles P-C4'-P energy: -29.846
tors. eta vs tors. theta energy: -63.231
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: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -727.551801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.551801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.551801 (E_RNA)
where:
Base-Base interactions energy: -484.823
where: short stacking energy: -214.196
Base-Backbone interact. energy: -1.468
local terms energy: -241.260368
where:
bonds (distance) C4'-P energy: -46.712
bonds (distance) P-C4' energy: -50.042
flat angles C4'-P-C4' energy: -47.761
flat angles P-C4'-P energy: -32.920
tors. eta vs tors. theta energy: -63.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -703.729408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.729408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.729408 (E_RNA)
where:
Base-Base interactions energy: -471.788
where: short stacking energy: -209.570
Base-Backbone interact. energy: -1.354
local terms energy: -230.587135
where:
bonds (distance) C4'-P energy: -43.080
bonds (distance) P-C4' energy: -43.125
flat angles C4'-P-C4' energy: -40.612
flat angles P-C4'-P energy: -36.869
tors. eta vs tors. theta energy: -66.901
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: 5
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -685.486355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.486355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.486355 (E_RNA)
where:
Base-Base interactions energy: -489.757
where: short stacking energy: -214.291
Base-Backbone interact. energy: 0.271
local terms energy: -196.000247
where:
bonds (distance) C4'-P energy: -28.349
bonds (distance) P-C4' energy: -44.612
flat angles C4'-P-C4' energy: -45.345
flat angles P-C4'-P energy: -28.440
tors. eta vs tors. theta energy: -49.255
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: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -614.841888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.841888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.841888 (E_RNA)
where:
Base-Base interactions energy: -423.924
where: short stacking energy: -193.402
Base-Backbone interact. energy: -0.315
local terms energy: -190.603112
where:
bonds (distance) C4'-P energy: -36.713
bonds (distance) P-C4' energy: -36.799
flat angles C4'-P-C4' energy: -33.964
flat angles P-C4'-P energy: -32.365
tors. eta vs tors. theta energy: -50.763
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: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -579.637945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.637945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.637945 (E_RNA)
where:
Base-Base interactions energy: -386.717
where: short stacking energy: -153.178
Base-Backbone interact. energy: -1.047
local terms energy: -191.873752
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -45.727
flat angles C4'-P-C4' energy: -40.587
flat angles P-C4'-P energy: -27.379
tors. eta vs tors. theta energy: -34.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -413.222847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.222847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.222847 (E_RNA)
where:
Base-Base interactions energy: -237.684
where: short stacking energy: -110.512
Base-Backbone interact. energy: 1.368
local terms energy: -176.906399
where:
bonds (distance) C4'-P energy: -40.531
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -39.598
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -27.496
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: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -331.299821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.299821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.299821 (E_RNA)
where:
Base-Base interactions energy: -203.842
where: short stacking energy: -103.365
Base-Backbone interact. energy: 0.178
local terms energy: -127.635959
where:
bonds (distance) C4'-P energy: -30.823
bonds (distance) P-C4' energy: -33.357
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -26.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -217.530610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.530610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.530610 (E_RNA)
where:
Base-Base interactions energy: -78.798
where: short stacking energy: -65.089
Base-Backbone interact. energy: 2.054
local terms energy: -140.786977
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -34.124
flat angles C4'-P-C4' energy: -45.752
flat angles P-C4'-P energy: -24.208
tors. eta vs tors. theta energy: 6.130
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: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -199.365436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.365436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.365436 (E_RNA)
where:
Base-Base interactions energy: -95.631
where: short stacking energy: -85.060
Base-Backbone interact. energy: 0.357
local terms energy: -104.091666
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -38.585
flat angles C4'-P-C4' energy: -26.541
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: 2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -753.447013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.447013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.447013 (E_RNA)
where:
Base-Base interactions energy: -505.382
where: short stacking energy: -221.573
Base-Backbone interact. energy: -0.939
local terms energy: -247.126578
where:
bonds (distance) C4'-P energy: -43.034
bonds (distance) P-C4' energy: -44.857
flat angles C4'-P-C4' energy: -51.665
flat angles P-C4'-P energy: -38.257
tors. eta vs tors. theta energy: -69.313
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: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -735.670910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.670910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.670910 (E_RNA)
where:
Base-Base interactions energy: -509.782
where: short stacking energy: -217.262
Base-Backbone interact. energy: -1.076
local terms energy: -224.813095
where:
bonds (distance) C4'-P energy: -48.976
bonds (distance) P-C4' energy: -42.472
flat angles C4'-P-C4' energy: -43.949
flat angles P-C4'-P energy: -27.295
tors. eta vs tors. theta energy: -62.122
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: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -693.911628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.911628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.911628 (E_RNA)
where:
Base-Base interactions energy: -494.410
where: short stacking energy: -203.975
Base-Backbone interact. energy: -0.939
local terms energy: -198.563493
where:
bonds (distance) C4'-P energy: -33.724
bonds (distance) P-C4' energy: -37.692
flat angles C4'-P-C4' energy: -44.894
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -65.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -692.993333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.993333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.993333 (E_RNA)
where:
Base-Base interactions energy: -472.202
where: short stacking energy: -219.400
Base-Backbone interact. energy: -0.520
local terms energy: -220.271362
where:
bonds (distance) C4'-P energy: -41.413
bonds (distance) P-C4' energy: -39.009
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -60.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -630.048197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.048197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.048197 (E_RNA)
where:
Base-Base interactions energy: -425.476
where: short stacking energy: -178.113
Base-Backbone interact. energy: -0.727
local terms energy: -203.845677
where:
bonds (distance) C4'-P energy: -42.249
bonds (distance) P-C4' energy: -38.450
flat angles C4'-P-C4' energy: -43.627
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -49.156
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: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -549.671343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.671343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.671343 (E_RNA)
where:
Base-Base interactions energy: -362.029
where: short stacking energy: -157.090
Base-Backbone interact. energy: -1.300
local terms energy: -186.342547
where:
bonds (distance) C4'-P energy: -37.638
bonds (distance) P-C4' energy: -47.642
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -40.080
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: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -432.073567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.073567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.073567 (E_RNA)
where:
Base-Base interactions energy: -250.493
where: short stacking energy: -139.208
Base-Backbone interact. energy: 0.363
local terms energy: -181.943596
where:
bonds (distance) C4'-P energy: -32.962
bonds (distance) P-C4' energy: -45.300
flat angles C4'-P-C4' energy: -45.379
flat angles P-C4'-P energy: -31.507
tors. eta vs tors. theta energy: -26.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -337.039701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.039701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.039701 (E_RNA)
where:
Base-Base interactions energy: -174.569
where: short stacking energy: -102.361
Base-Backbone interact. energy: -1.126
local terms energy: -161.344936
where:
bonds (distance) C4'-P energy: -40.184
bonds (distance) P-C4' energy: -42.754
flat angles C4'-P-C4' energy: -36.664
flat angles P-C4'-P energy: -21.248
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: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -225.801237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.801237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.801237 (E_RNA)
where:
Base-Base interactions energy: -90.711
where: short stacking energy: -87.744
Base-Backbone interact. energy: 0.190
local terms energy: -135.279767
where:
bonds (distance) C4'-P energy: -25.081
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -41.603
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -12.067
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: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -200.321551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.321551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.321551 (E_RNA)
where:
Base-Base interactions energy: -76.046
where: short stacking energy: -70.861
Base-Backbone interact. energy: -0.000
local terms energy: -124.274985
where:
bonds (distance) C4'-P energy: -34.910
bonds (distance) P-C4' energy: -33.554
flat angles C4'-P-C4' energy: -34.142
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -732.646956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.646956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.646956 (E_RNA)
where:
Base-Base interactions energy: -517.531
where: short stacking energy: -216.006
Base-Backbone interact. energy: -0.913
local terms energy: -214.202909
where:
bonds (distance) C4'-P energy: -35.680
bonds (distance) P-C4' energy: -43.076
flat angles C4'-P-C4' energy: -46.355
flat angles P-C4'-P energy: -32.813
tors. eta vs tors. theta energy: -56.279
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: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -744.672058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.672058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.672058 (E_RNA)
where:
Base-Base interactions energy: -525.485
where: short stacking energy: -204.938
Base-Backbone interact. energy: -0.792
local terms energy: -218.394537
where:
bonds (distance) C4'-P energy: -35.815
bonds (distance) P-C4' energy: -42.430
flat angles C4'-P-C4' energy: -48.743
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -66.613
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: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -672.773229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.773229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.773229 (E_RNA)
where:
Base-Base interactions energy: -441.843
where: short stacking energy: -204.348
Base-Backbone interact. energy: 0.398
local terms energy: -231.327822
where:
bonds (distance) C4'-P energy: -49.551
bonds (distance) P-C4' energy: -50.386
flat angles C4'-P-C4' energy: -49.033
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -57.076
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: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -663.473781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.473781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.473781 (E_RNA)
where:
Base-Base interactions energy: -465.113
where: short stacking energy: -202.608
Base-Backbone interact. energy: -0.379
local terms energy: -197.981966
where:
bonds (distance) C4'-P energy: -36.182
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -41.606
flat angles P-C4'-P energy: -25.235
tors. eta vs tors. theta energy: -56.860
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: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -627.245829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.245829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.245829 (E_RNA)
where:
Base-Base interactions energy: -422.330
where: short stacking energy: -186.101
Base-Backbone interact. energy: 0.092
local terms energy: -205.008135
where:
bonds (distance) C4'-P energy: -43.469
bonds (distance) P-C4' energy: -38.572
flat angles C4'-P-C4' energy: -44.375
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -53.914
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: 314
Temperature: 1.150000
Total energy: -553.791385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.791385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.791385 (E_RNA)
where:
Base-Base interactions energy: -359.331
where: short stacking energy: -159.994
Base-Backbone interact. energy: -1.252
local terms energy: -193.208352
where:
bonds (distance) C4'-P energy: -42.275
bonds (distance) P-C4' energy: -42.410
flat angles C4'-P-C4' energy: -42.786
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -39.613
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: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -418.246695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.246695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.246695 (E_RNA)
where:
Base-Base interactions energy: -263.817
where: short stacking energy: -136.745
Base-Backbone interact. energy: 1.672
local terms energy: -156.101715
where:
bonds (distance) C4'-P energy: -32.651
bonds (distance) P-C4' energy: -33.078
flat angles C4'-P-C4' energy: -37.649
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: -26.366
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: 8, replica: 3
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -341.351734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.351734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.351734 (E_RNA)
where:
Base-Base interactions energy: -183.135
where: short stacking energy: -108.247
Base-Backbone interact. energy: -1.094
local terms energy: -157.123120
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -39.298
flat angles C4'-P-C4' energy: -37.530
flat angles P-C4'-P energy: -32.951
tors. eta vs tors. theta energy: -11.866
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: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -200.512389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.512389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.512389 (E_RNA)
where:
Base-Base interactions energy: -73.560
where: short stacking energy: -72.551
Base-Backbone interact. energy: 1.198
local terms energy: -128.150836
where:
bonds (distance) C4'-P energy: -37.610
bonds (distance) P-C4' energy: -36.510
flat angles C4'-P-C4' energy: -26.980
flat angles P-C4'-P energy: -25.008
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -206.705272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.705272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.705272 (E_RNA)
where:
Base-Base interactions energy: -88.030
where: short stacking energy: -67.486
Base-Backbone interact. energy: -0.619
local terms energy: -118.056321
where:
bonds (distance) C4'-P energy: -32.090
bonds (distance) P-C4' energy: -36.304
flat angles C4'-P-C4' energy: -31.441
flat angles P-C4'-P energy: -26.990
tors. eta vs tors. theta energy: 8.769
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: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -744.708997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.708997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.708997 (E_RNA)
where:
Base-Base interactions energy: -530.914
where: short stacking energy: -224.720
Base-Backbone interact. energy: -1.099
local terms energy: -212.696309
where:
bonds (distance) C4'-P energy: -47.709
bonds (distance) P-C4' energy: -46.090
flat angles C4'-P-C4' energy: -39.323
flat angles P-C4'-P energy: -22.170
tors. eta vs tors. theta energy: -57.404
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: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -731.545954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.545954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.545954 (E_RNA)
where:
Base-Base interactions energy: -515.592
where: short stacking energy: -221.527
Base-Backbone interact. energy: 0.547
local terms energy: -216.500822
where:
bonds (distance) C4'-P energy: -41.363
bonds (distance) P-C4' energy: -38.513
flat angles C4'-P-C4' energy: -43.480
flat angles P-C4'-P energy: -25.461
tors. eta vs tors. theta energy: -67.683
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: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -696.102218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.102218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.102218 (E_RNA)
where:
Base-Base interactions energy: -470.647
where: short stacking energy: -219.394
Base-Backbone interact. energy: -1.734
local terms energy: -223.721676
where:
bonds (distance) C4'-P energy: -42.550
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -45.264
flat angles P-C4'-P energy: -37.900
tors. eta vs tors. theta energy: -60.788
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: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -648.417947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.417947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.417947 (E_RNA)
where:
Base-Base interactions energy: -438.332
where: short stacking energy: -197.987
Base-Backbone interact. energy: 0.589
local terms energy: -210.675120
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -40.450
flat angles C4'-P-C4' energy: -45.500
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: -58.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -646.921638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.921638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.921638 (E_RNA)
where:
Base-Base interactions energy: -435.536
where: short stacking energy: -194.278
Base-Backbone interact. energy: -1.556
local terms energy: -209.829713
where:
bonds (distance) C4'-P energy: -41.131
bonds (distance) P-C4' energy: -39.541
flat angles C4'-P-C4' energy: -37.683
flat angles P-C4'-P energy: -28.363
tors. eta vs tors. theta energy: -63.112
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: 6, replica: 7
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -605.847250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.847250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.847250 (E_RNA)
where:
Base-Base interactions energy: -414.956
where: short stacking energy: -175.920
Base-Backbone interact. energy: -1.006
local terms energy: -189.885585
where:
bonds (distance) C4'-P energy: -37.879
bonds (distance) P-C4' energy: -35.868
flat angles C4'-P-C4' energy: -45.200
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -40.585
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: 7, replica: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -440.867903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.867903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.867903 (E_RNA)
where:
Base-Base interactions energy: -278.873
where: short stacking energy: -126.265
Base-Backbone interact. energy: 0.272
local terms energy: -162.266557
where:
bonds (distance) C4'-P energy: -38.542
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -35.816
flat angles P-C4'-P energy: -21.406
tors. eta vs tors. theta energy: -28.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -333.697939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.697939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.697939 (E_RNA)
where:
Base-Base interactions energy: -197.482
where: short stacking energy: -99.177
Base-Backbone interact. energy: -0.315
local terms energy: -135.900359
where:
bonds (distance) C4'-P energy: -36.076
bonds (distance) P-C4' energy: -29.752
flat angles C4'-P-C4' energy: -36.739
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -9.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -219.824328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.824328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.824328 (E_RNA)
where:
Base-Base interactions energy: -72.975
where: short stacking energy: -72.044
Base-Backbone interact. energy: -0.099
local terms energy: -146.749785
where:
bonds (distance) C4'-P energy: -40.250
bonds (distance) P-C4' energy: -35.160
flat angles C4'-P-C4' energy: -41.715
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -5.756
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: 9
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -197.369747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.369747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.369747 (E_RNA)
where:
Base-Base interactions energy: -82.635
where: short stacking energy: -65.734
Base-Backbone interact. energy: -0.570
local terms energy: -114.164934
where:
bonds (distance) C4'-P energy: -39.264
bonds (distance) P-C4' energy: -32.394
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -4.493
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: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -751.368116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.368116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.368116 (E_RNA)
where:
Base-Base interactions energy: -523.128
where: short stacking energy: -229.026
Base-Backbone interact. energy: -0.372
local terms energy: -227.867978
where:
bonds (distance) C4'-P energy: -39.699
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -42.704
flat angles P-C4'-P energy: -33.960
tors. eta vs tors. theta energy: -66.687
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: 2, replica: 2
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -743.924692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.924692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.924692 (E_RNA)
where:
Base-Base interactions energy: -515.932
where: short stacking energy: -220.800
Base-Backbone interact. energy: -0.874
local terms energy: -227.118658
where:
bonds (distance) C4'-P energy: -42.834
bonds (distance) P-C4' energy: -43.024
flat angles C4'-P-C4' energy: -48.549
flat angles P-C4'-P energy: -28.628
tors. eta vs tors. theta energy: -64.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -685.407869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.407869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.407869 (E_RNA)
where:
Base-Base interactions energy: -470.799
where: short stacking energy: -209.242
Base-Backbone interact. energy: -0.226
local terms energy: -214.382823
where:
bonds (distance) C4'-P energy: -34.409
bonds (distance) P-C4' energy: -42.337
flat angles C4'-P-C4' energy: -45.522
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -57.968
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: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -632.270986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.270986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.270986 (E_RNA)
where:
Base-Base interactions energy: -423.450
where: short stacking energy: -195.205
Base-Backbone interact. energy: -1.041
local terms energy: -207.779416
where:
bonds (distance) C4'-P energy: -40.194
bonds (distance) P-C4' energy: -41.470
flat angles C4'-P-C4' energy: -48.440
flat angles P-C4'-P energy: -27.138
tors. eta vs tors. theta energy: -50.537
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: 5, replica: 7
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -635.752787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.752787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.752787 (E_RNA)
where:
Base-Base interactions energy: -423.014
where: short stacking energy: -192.207
Base-Backbone interact. energy: -0.977
local terms energy: -211.761357
where:
bonds (distance) C4'-P energy: -44.632
bonds (distance) P-C4' energy: -39.006
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -33.738
tors. eta vs tors. theta energy: -51.589
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: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -586.075258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.075258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.075258 (E_RNA)
where:
Base-Base interactions energy: -403.800
where: short stacking energy: -171.940
Base-Backbone interact. energy: -0.588
local terms energy: -181.687084
where:
bonds (distance) C4'-P energy: -30.684
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -45.939
flat angles P-C4'-P energy: -25.211
tors. eta vs tors. theta energy: -44.594
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: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -457.277860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.277860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.277860 (E_RNA)
where:
Base-Base interactions energy: -274.233
where: short stacking energy: -139.157
Base-Backbone interact. energy: -0.924
local terms energy: -182.120652
where:
bonds (distance) C4'-P energy: -45.682
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -40.010
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -30.853
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: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -329.089378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.089378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.089378 (E_RNA)
where:
Base-Base interactions energy: -178.791
where: short stacking energy: -115.180
Base-Backbone interact. energy: -0.838
local terms energy: -149.461202
where:
bonds (distance) C4'-P energy: -30.814
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -36.945
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -17.221
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: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -210.080724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.080724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.080724 (E_RNA)
where:
Base-Base interactions energy: -80.878
where: short stacking energy: -77.392
Base-Backbone interact. energy: 0.123
local terms energy: -129.325303
where:
bonds (distance) C4'-P energy: -38.730
bonds (distance) P-C4' energy: -39.094
flat angles C4'-P-C4' energy: -31.027
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: 0.773
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: 9
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -185.403914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.403914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.403914 (E_RNA)
where:
Base-Base interactions energy: -67.807
where: short stacking energy: -41.556
Base-Backbone interact. energy: -0.728
local terms energy: -116.869066
where:
bonds (distance) C4'-P energy: -44.785
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -33.296
flat angles P-C4'-P energy: -17.047
tors. eta vs tors. theta energy: 16.699
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: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -755.731297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.731297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.731297 (E_RNA)
where:
Base-Base interactions energy: -524.340
where: short stacking energy: -228.550
Base-Backbone interact. energy: -0.970
local terms energy: -230.421752
where:
bonds (distance) C4'-P energy: -41.140
bonds (distance) P-C4' energy: -47.290
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -60.194
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: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -732.258224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.258224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.258224 (E_RNA)
where:
Base-Base interactions energy: -488.543
where: short stacking energy: -217.101
Base-Backbone interact. energy: -0.510
local terms energy: -243.204734
where:
bonds (distance) C4'-P energy: -48.707
bonds (distance) P-C4' energy: -46.246
flat angles C4'-P-C4' energy: -50.331
flat angles P-C4'-P energy: -32.268
tors. eta vs tors. theta energy: -65.653
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: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -693.373280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.373280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.373280 (E_RNA)
where:
Base-Base interactions energy: -465.498
where: short stacking energy: -202.782
Base-Backbone interact. energy: -0.463
local terms energy: -227.412477
where:
bonds (distance) C4'-P energy: -38.241
bonds (distance) P-C4' energy: -49.669
flat angles C4'-P-C4' energy: -49.697
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -55.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -641.095669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.095669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.095669 (E_RNA)
where:
Base-Base interactions energy: -422.121
where: short stacking energy: -185.343
Base-Backbone interact. energy: -0.957
local terms energy: -218.017177
where:
bonds (distance) C4'-P energy: -40.926
bonds (distance) P-C4' energy: -43.371
flat angles C4'-P-C4' energy: -46.987
flat angles P-C4'-P energy: -32.023
tors. eta vs tors. theta energy: -54.710
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: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -635.036738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.036738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.036738 (E_RNA)
where:
Base-Base interactions energy: -418.308
where: short stacking energy: -184.690
Base-Backbone interact. energy: -0.811
local terms energy: -215.917868
where:
bonds (distance) C4'-P energy: -39.206
bonds (distance) P-C4' energy: -49.397
flat angles C4'-P-C4' energy: -41.250
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -57.984
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: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -493.274443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.274443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.274443 (E_RNA)
where:
Base-Base interactions energy: -315.945
where: short stacking energy: -161.168
Base-Backbone interact. energy: 0.575
local terms energy: -177.904651
where:
bonds (distance) C4'-P energy: -34.601
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -42.402
flat angles P-C4'-P energy: -24.680
tors. eta vs tors. theta energy: -38.897
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: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -552.592683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.592683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.592683 (E_RNA)
where:
Base-Base interactions energy: -369.327
where: short stacking energy: -159.340
Base-Backbone interact. energy: -0.579
local terms energy: -182.687368
where:
bonds (distance) C4'-P energy: -39.513
bonds (distance) P-C4' energy: -43.306
flat angles C4'-P-C4' energy: -32.088
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: -40.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -331.827954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.827954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.827954 (E_RNA)
where:
Base-Base interactions energy: -177.970
where: short stacking energy: -119.045
Base-Backbone interact. energy: 0.089
local terms energy: -153.946358
where:
bonds (distance) C4'-P energy: -39.423
bonds (distance) P-C4' energy: -33.846
flat angles C4'-P-C4' energy: -38.426
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -25.295
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: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -224.156608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.156608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.156608 (E_RNA)
where:
Base-Base interactions energy: -84.798
where: short stacking energy: -83.197
Base-Backbone interact. energy: -1.487
local terms energy: -137.871529
where:
bonds (distance) C4'-P energy: -38.303
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -30.149
tors. eta vs tors. theta energy: -8.805
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: 10, replica: 9
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -205.153006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.153006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.153006 (E_RNA)
where:
Base-Base interactions energy: -81.133
where: short stacking energy: -60.688
Base-Backbone interact. energy: -1.231
local terms energy: -122.788712
where:
bonds (distance) C4'-P energy: -40.811
bonds (distance) P-C4' energy: -42.881
flat angles C4'-P-C4' energy: -33.660
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: 5.427
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: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -744.823441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.823441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.823441 (E_RNA)
where:
Base-Base interactions energy: -519.123
where: short stacking energy: -211.748
Base-Backbone interact. energy: -1.444
local terms energy: -224.256759
where:
bonds (distance) C4'-P energy: -47.463
bonds (distance) P-C4' energy: -39.239
flat angles C4'-P-C4' energy: -44.936
flat angles P-C4'-P energy: -32.584
tors. eta vs tors. theta energy: -60.035
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: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -726.031502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.031502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.031502 (E_RNA)
where:
Base-Base interactions energy: -497.066
where: short stacking energy: -214.596
Base-Backbone interact. energy: -0.145
local terms energy: -228.820307
where:
bonds (distance) C4'-P energy: -43.521
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -49.608
flat angles P-C4'-P energy: -21.176
tors. eta vs tors. theta energy: -66.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -726.499019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.499019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.499019 (E_RNA)
where:
Base-Base interactions energy: -495.442
where: short stacking energy: -233.224
Base-Backbone interact. energy: -0.689
local terms energy: -230.367868
where:
bonds (distance) C4'-P energy: -37.401
bonds (distance) P-C4' energy: -42.379
flat angles C4'-P-C4' energy: -47.529
flat angles P-C4'-P energy: -34.213
tors. eta vs tors. theta energy: -68.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -651.932907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.932907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.932907 (E_RNA)
where:
Base-Base interactions energy: -449.770
where: short stacking energy: -185.711
Base-Backbone interact. energy: -1.049
local terms energy: -201.113624
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -45.306
flat angles C4'-P-C4' energy: -43.893
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -43.713
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: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -643.755317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.755317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.755317 (E_RNA)
where:
Base-Base interactions energy: -439.033
where: short stacking energy: -199.193
Base-Backbone interact. energy: -0.880
local terms energy: -203.842359
where:
bonds (distance) C4'-P energy: -33.124
bonds (distance) P-C4' energy: -36.411
flat angles C4'-P-C4' energy: -43.990
flat angles P-C4'-P energy: -31.625
tors. eta vs tors. theta energy: -58.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -499.601468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.601468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.601468 (E_RNA)
where:
Base-Base interactions energy: -315.489
where: short stacking energy: -141.482
Base-Backbone interact. energy: -0.863
local terms energy: -183.249740
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -48.631
flat angles C4'-P-C4' energy: -35.295
flat angles P-C4'-P energy: -28.739
tors. eta vs tors. theta energy: -31.549
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: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -556.237974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.237974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.237974 (E_RNA)
where:
Base-Base interactions energy: -366.681
where: short stacking energy: -158.888
Base-Backbone interact. energy: -0.764
local terms energy: -188.792993
where:
bonds (distance) C4'-P energy: -36.278
bonds (distance) P-C4' energy: -40.105
flat angles C4'-P-C4' energy: -36.179
flat angles P-C4'-P energy: -28.893
tors. eta vs tors. theta energy: -47.338
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: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -329.398086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.398086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.398086 (E_RNA)
where:
Base-Base interactions energy: -173.299
where: short stacking energy: -105.047
Base-Backbone interact. energy: -1.027
local terms energy: -155.072262
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -42.414
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -216.946051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.946051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.946051 (E_RNA)
where:
Base-Base interactions energy: -79.062
where: short stacking energy: -67.179
Base-Backbone interact. energy: 0.677
local terms energy: -138.561152
where:
bonds (distance) C4'-P energy: -33.236
bonds (distance) P-C4' energy: -46.248
flat angles C4'-P-C4' energy: -39.127
flat angles P-C4'-P energy: -14.396
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: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -200.786165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.786165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.786165 (E_RNA)
where:
Base-Base interactions energy: -70.526
where: short stacking energy: -66.176
Base-Backbone interact. energy: -0.732
local terms energy: -129.528106
where:
bonds (distance) C4'-P energy: -39.006
bonds (distance) P-C4' energy: -40.359
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -19.771
tors. eta vs tors. theta energy: -0.562
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: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -752.248536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.248536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.248536 (E_RNA)
where:
Base-Base interactions energy: -514.023
where: short stacking energy: -224.821
Base-Backbone interact. energy: -0.770
local terms energy: -237.455976
where:
bonds (distance) C4'-P energy: -46.964
bonds (distance) P-C4' energy: -43.278
flat angles C4'-P-C4' energy: -43.840
flat angles P-C4'-P energy: -36.327
tors. eta vs tors. theta energy: -67.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -731.948607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.948607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.948607 (E_RNA)
where:
Base-Base interactions energy: -497.030
where: short stacking energy: -231.409
Base-Backbone interact. energy: -0.152
local terms energy: -234.766841
where:
bonds (distance) C4'-P energy: -42.932
bonds (distance) P-C4' energy: -44.321
flat angles C4'-P-C4' energy: -50.934
flat angles P-C4'-P energy: -28.135
tors. eta vs tors. theta energy: -68.445
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: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -726.798792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.798792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.798792 (E_RNA)
where:
Base-Base interactions energy: -520.142
where: short stacking energy: -224.348
Base-Backbone interact. energy: -0.623
local terms energy: -206.033499
where:
bonds (distance) C4'-P energy: -35.745
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -45.114
flat angles P-C4'-P energy: -28.718
tors. eta vs tors. theta energy: -59.756
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: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -656.776814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.776814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.776814 (E_RNA)
where:
Base-Base interactions energy: -440.476
where: short stacking energy: -178.203
Base-Backbone interact. energy: -1.379
local terms energy: -214.922400
where:
bonds (distance) C4'-P energy: -32.232
bonds (distance) P-C4' energy: -45.767
flat angles C4'-P-C4' energy: -48.625
flat angles P-C4'-P energy: -34.584
tors. eta vs tors. theta energy: -53.715
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: 5, replica: 1
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -636.175810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.175810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.175810 (E_RNA)
where:
Base-Base interactions energy: -443.454
where: short stacking energy: -198.289
Base-Backbone interact. energy: 0.439
local terms energy: -193.161205
where:
bonds (distance) C4'-P energy: -38.940
bonds (distance) P-C4' energy: -41.379
flat angles C4'-P-C4' energy: -33.050
flat angles P-C4'-P energy: -30.173
tors. eta vs tors. theta energy: -49.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -549.881586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.881586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.881586 (E_RNA)
where:
Base-Base interactions energy: -364.663
where: short stacking energy: -165.228
Base-Backbone interact. energy: -1.011
local terms energy: -184.207368
where:
bonds (distance) C4'-P energy: -39.268
bonds (distance) P-C4' energy: -37.524
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -44.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -504.555133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.555133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.555133 (E_RNA)
where:
Base-Base interactions energy: -322.517
where: short stacking energy: -141.038
Base-Backbone interact. energy: -1.489
local terms energy: -180.548909
where:
bonds (distance) C4'-P energy: -38.371
bonds (distance) P-C4' energy: -42.402
flat angles C4'-P-C4' energy: -40.338
flat angles P-C4'-P energy: -27.322
tors. eta vs tors. theta energy: -32.115
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: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -370.759156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.759156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.759156 (E_RNA)
where:
Base-Base interactions energy: -224.463
where: short stacking energy: -117.256
Base-Backbone interact. energy: -0.715
local terms energy: -145.581812
where:
bonds (distance) C4'-P energy: -36.584
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -40.137
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -16.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -214.899798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.899798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.899798 (E_RNA)
where:
Base-Base interactions energy: -90.897
where: short stacking energy: -64.352
Base-Backbone interact. energy: -0.907
local terms energy: -123.096030
where:
bonds (distance) C4'-P energy: -31.766
bonds (distance) P-C4' energy: -30.640
flat angles C4'-P-C4' energy: -32.396
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -200.816319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.816319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.816319 (E_RNA)
where:
Base-Base interactions energy: -83.676
where: short stacking energy: -73.581
Base-Backbone interact. energy: -1.313
local terms energy: -115.827011
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -34.933
flat angles C4'-P-C4' energy: -32.765
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -735.940109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.940109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.940109 (E_RNA)
where:
Base-Base interactions energy: -489.306
where: short stacking energy: -226.336
Base-Backbone interact. energy: -0.275
local terms energy: -246.359665
where:
bonds (distance) C4'-P energy: -40.842
bonds (distance) P-C4' energy: -43.712
flat angles C4'-P-C4' energy: -51.058
flat angles P-C4'-P energy: -35.104
tors. eta vs tors. theta energy: -75.644
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: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -750.295081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.295081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.295081 (E_RNA)
where:
Base-Base interactions energy: -527.688
where: short stacking energy: -234.992
Base-Backbone interact. energy: 0.070
local terms energy: -222.676364
where:
bonds (distance) C4'-P energy: -35.591
bonds (distance) P-C4' energy: -41.889
flat angles C4'-P-C4' energy: -44.742
flat angles P-C4'-P energy: -29.625
tors. eta vs tors. theta energy: -70.829
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: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -704.984031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.984031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.984031 (E_RNA)
where:
Base-Base interactions energy: -487.307
where: short stacking energy: -200.725
Base-Backbone interact. energy: -1.036
local terms energy: -216.641013
where:
bonds (distance) C4'-P energy: -40.884
bonds (distance) P-C4' energy: -44.159
flat angles C4'-P-C4' energy: -41.473
flat angles P-C4'-P energy: -35.670
tors. eta vs tors. theta energy: -54.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -615.373558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.373558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.373558 (E_RNA)
where:
Base-Base interactions energy: -430.211
where: short stacking energy: -175.625
Base-Backbone interact. energy: -0.480
local terms energy: -184.683102
where:
bonds (distance) C4'-P energy: -37.942
bonds (distance) P-C4' energy: -43.969
flat angles C4'-P-C4' energy: -31.434
flat angles P-C4'-P energy: -22.964
tors. eta vs tors. theta energy: -48.375
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: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -619.844140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.844140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.844140 (E_RNA)
where:
Base-Base interactions energy: -429.389
where: short stacking energy: -197.223
Base-Backbone interact. energy: -1.516
local terms energy: -188.938478
where:
bonds (distance) C4'-P energy: -29.331
bonds (distance) P-C4' energy: -44.953
flat angles C4'-P-C4' energy: -37.727
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -60.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -562.686109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.686109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.686109 (E_RNA)
where:
Base-Base interactions energy: -367.731
where: short stacking energy: -155.590
Base-Backbone interact. energy: -0.653
local terms energy: -194.302375
where:
bonds (distance) C4'-P energy: -43.207
bonds (distance) P-C4' energy: -40.102
flat angles C4'-P-C4' energy: -42.458
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: -37.105
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: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -469.489529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.489529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.489529 (E_RNA)
where:
Base-Base interactions energy: -300.461
where: short stacking energy: -150.828
Base-Backbone interact. energy: -0.358
local terms energy: -168.669714
where:
bonds (distance) C4'-P energy: -29.354
bonds (distance) P-C4' energy: -33.485
flat angles C4'-P-C4' energy: -42.997
flat angles P-C4'-P energy: -23.974
tors. eta vs tors. theta energy: -38.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -382.657624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.657624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.657624 (E_RNA)
where:
Base-Base interactions energy: -237.516
where: short stacking energy: -117.712
Base-Backbone interact. energy: -0.732
local terms energy: -144.409484
where:
bonds (distance) C4'-P energy: -39.036
bonds (distance) P-C4' energy: -34.607
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: -18.925
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: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -230.156433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.156433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.156433 (E_RNA)
where:
Base-Base interactions energy: -102.648
where: short stacking energy: -100.457
Base-Backbone interact. energy: -0.099
local terms energy: -127.409585
where:
bonds (distance) C4'-P energy: -33.553
bonds (distance) P-C4' energy: -38.220
flat angles C4'-P-C4' energy: -37.769
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -195.529676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.529676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.529676 (E_RNA)
where:
Base-Base interactions energy: -63.148
where: short stacking energy: -56.870
Base-Backbone interact. energy: -1.051
local terms energy: -131.330409
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -42.489
flat angles C4'-P-C4' energy: -36.993
flat angles P-C4'-P energy: -20.704
tors. eta vs tors. theta energy: 3.903
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: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -752.500834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.500834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.500834 (E_RNA)
where:
Base-Base interactions energy: -505.835
where: short stacking energy: -229.037
Base-Backbone interact. energy: -0.231
local terms energy: -246.434380
where:
bonds (distance) C4'-P energy: -46.672
bonds (distance) P-C4' energy: -47.986
flat angles C4'-P-C4' energy: -49.655
flat angles P-C4'-P energy: -34.870
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: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -730.012183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.012183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.012183 (E_RNA)
where:
Base-Base interactions energy: -491.677
where: short stacking energy: -219.161
Base-Backbone interact. energy: -0.561
local terms energy: -237.774796
where:
bonds (distance) C4'-P energy: -44.505
bonds (distance) P-C4' energy: -49.977
flat angles C4'-P-C4' energy: -48.045
flat angles P-C4'-P energy: -28.741
tors. eta vs tors. theta energy: -66.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -721.502831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.502831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.502831 (E_RNA)
where:
Base-Base interactions energy: -489.023
where: short stacking energy: -216.661
Base-Backbone interact. energy: -0.429
local terms energy: -232.050469
where:
bonds (distance) C4'-P energy: -42.021
bonds (distance) P-C4' energy: -47.580
flat angles C4'-P-C4' energy: -45.533
flat angles P-C4'-P energy: -32.665
tors. eta vs tors. theta energy: -64.252
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: 4, replica: 1
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -635.888548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.888548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.888548 (E_RNA)
where:
Base-Base interactions energy: -430.745
where: short stacking energy: -196.661
Base-Backbone interact. energy: -0.848
local terms energy: -204.295040
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -41.206
flat angles C4'-P-C4' energy: -43.069
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: -52.063
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: 5, replica: 7
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -619.639662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.639662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.639662 (E_RNA)
where:
Base-Base interactions energy: -411.835
where: short stacking energy: -187.054
Base-Backbone interact. energy: -2.029
local terms energy: -205.774773
where:
bonds (distance) C4'-P energy: -42.036
bonds (distance) P-C4' energy: -48.139
flat angles C4'-P-C4' energy: -39.427
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: -51.116
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: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -560.425524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.425524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.425524 (E_RNA)
where:
Base-Base interactions energy: -379.995
where: short stacking energy: -172.459
Base-Backbone interact. energy: 0.900
local terms energy: -181.330034
where:
bonds (distance) C4'-P energy: -26.177
bonds (distance) P-C4' energy: -37.717
flat angles C4'-P-C4' energy: -42.432
flat angles P-C4'-P energy: -23.787
tors. eta vs tors. theta energy: -51.216
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: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -486.824704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.824704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.824704 (E_RNA)
where:
Base-Base interactions energy: -315.080
where: short stacking energy: -143.281
Base-Backbone interact. energy: -1.113
local terms energy: -170.631427
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -38.553
flat angles C4'-P-C4' energy: -40.407
flat angles P-C4'-P energy: -21.851
tors. eta vs tors. theta energy: -31.833
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: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -445.721608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.721608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.721608 (E_RNA)
where:
Base-Base interactions energy: -261.869
where: short stacking energy: -135.866
Base-Backbone interact. energy: -1.378
local terms energy: -182.473922
where:
bonds (distance) C4'-P energy: -35.591
bonds (distance) P-C4' energy: -37.859
flat angles C4'-P-C4' energy: -41.465
flat angles P-C4'-P energy: -34.723
tors. eta vs tors. theta energy: -32.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -207.171379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.171379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.171379 (E_RNA)
where:
Base-Base interactions energy: -84.785
where: short stacking energy: -80.094
Base-Backbone interact. energy: -0.778
local terms energy: -121.608350
where:
bonds (distance) C4'-P energy: -36.469
bonds (distance) P-C4' energy: -37.879
flat angles C4'-P-C4' energy: -39.728
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -2.112
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: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -207.229883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.229883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.229883 (E_RNA)
where:
Base-Base interactions energy: -85.951
where: short stacking energy: -76.147
Base-Backbone interact. energy: -0.129
local terms energy: -121.150388
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -39.315
flat angles C4'-P-C4' energy: -35.681
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -2.433
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: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -741.609681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.609681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.609681 (E_RNA)
where:
Base-Base interactions energy: -518.557
where: short stacking energy: -218.337
Base-Backbone interact. energy: -2.265
local terms energy: -220.787953
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -37.151
flat angles C4'-P-C4' energy: -48.592
flat angles P-C4'-P energy: -33.088
tors. eta vs tors. theta energy: -62.389
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: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -715.148810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.148810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.148810 (E_RNA)
where:
Base-Base interactions energy: -483.999
where: short stacking energy: -215.436
Base-Backbone interact. energy: -1.647
local terms energy: -229.502985
where:
bonds (distance) C4'-P energy: -43.239
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -46.286
flat angles P-C4'-P energy: -30.780
tors. eta vs tors. theta energy: -67.074
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: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -730.099405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.099405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.099405 (E_RNA)
where:
Base-Base interactions energy: -497.901
where: short stacking energy: -207.360
Base-Backbone interact. energy: -0.408
local terms energy: -231.790220
where:
bonds (distance) C4'-P energy: -45.451
bonds (distance) P-C4' energy: -40.445
flat angles C4'-P-C4' energy: -43.972
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -62.341
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: 1
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -657.197580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.197580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.197580 (E_RNA)
where:
Base-Base interactions energy: -437.659
where: short stacking energy: -200.837
Base-Backbone interact. energy: -0.730
local terms energy: -218.808637
where:
bonds (distance) C4'-P energy: -40.700
bonds (distance) P-C4' energy: -36.698
flat angles C4'-P-C4' energy: -47.165
flat angles P-C4'-P energy: -38.933
tors. eta vs tors. theta energy: -55.313
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: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -619.358249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.358249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.358249 (E_RNA)
where:
Base-Base interactions energy: -424.246
where: short stacking energy: -188.694
Base-Backbone interact. energy: -0.109
local terms energy: -195.003127
where:
bonds (distance) C4'-P energy: -39.176
bonds (distance) P-C4' energy: -42.180
flat angles C4'-P-C4' energy: -39.164
flat angles P-C4'-P energy: -26.937
tors. eta vs tors. theta energy: -47.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -564.544069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.544069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.544069 (E_RNA)
where:
Base-Base interactions energy: -368.393
where: short stacking energy: -169.691
Base-Backbone interact. energy: -0.210
local terms energy: -195.940419
where:
bonds (distance) C4'-P energy: -37.002
bonds (distance) P-C4' energy: -45.640
flat angles C4'-P-C4' energy: -42.108
flat angles P-C4'-P energy: -27.199
tors. eta vs tors. theta energy: -43.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -513.364160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.364160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.364160 (E_RNA)
where:
Base-Base interactions energy: -334.328
where: short stacking energy: -164.191
Base-Backbone interact. energy: 1.869
local terms energy: -180.905716
where:
bonds (distance) C4'-P energy: -42.542
bonds (distance) P-C4' energy: -29.244
flat angles C4'-P-C4' energy: -44.706
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -41.280
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: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -382.129524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.129524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.129524 (E_RNA)
where:
Base-Base interactions energy: -241.271
where: short stacking energy: -128.385
Base-Backbone interact. energy: -0.562
local terms energy: -140.296428
where:
bonds (distance) C4'-P energy: -30.495
bonds (distance) P-C4' energy: -37.502
flat angles C4'-P-C4' energy: -25.044
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -29.720
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: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -225.487497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.487497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.487497 (E_RNA)
where:
Base-Base interactions energy: -86.474
where: short stacking energy: -70.685
Base-Backbone interact. energy: 4.236
local terms energy: -143.249555
where:
bonds (distance) C4'-P energy: -44.667
bonds (distance) P-C4' energy: -34.963
flat angles C4'-P-C4' energy: -39.716
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -1.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -194.018544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.018544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.018544 (E_RNA)
where:
Base-Base interactions energy: -79.299
where: short stacking energy: -74.291
Base-Backbone interact. energy: -0.329
local terms energy: -114.390649
where:
bonds (distance) C4'-P energy: -44.844
bonds (distance) P-C4' energy: -30.115
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -5.025
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: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -741.387105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.387105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.387105 (E_RNA)
where:
Base-Base interactions energy: -510.462
where: short stacking energy: -229.139
Base-Backbone interact. energy: -1.374
local terms energy: -229.550891
where:
bonds (distance) C4'-P energy: -39.861
bonds (distance) P-C4' energy: -44.455
flat angles C4'-P-C4' energy: -47.298
flat angles P-C4'-P energy: -34.740
tors. eta vs tors. theta energy: -63.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -743.516888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.516888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.516888 (E_RNA)
where:
Base-Base interactions energy: -507.339
where: short stacking energy: -232.997
Base-Backbone interact. energy: -0.214
local terms energy: -235.963480
where:
bonds (distance) C4'-P energy: -40.423
bonds (distance) P-C4' energy: -42.568
flat angles C4'-P-C4' energy: -48.018
flat angles P-C4'-P energy: -34.788
tors. eta vs tors. theta energy: -70.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -710.358852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.358852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.358852 (E_RNA)
where:
Base-Base interactions energy: -499.891
where: short stacking energy: -213.962
Base-Backbone interact. energy: -1.460
local terms energy: -209.008373
where:
bonds (distance) C4'-P energy: -30.963
bonds (distance) P-C4' energy: -39.447
flat angles C4'-P-C4' energy: -50.880
flat angles P-C4'-P energy: -29.940
tors. eta vs tors. theta energy: -57.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -667.965790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.965790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.965790 (E_RNA)
where:
Base-Base interactions energy: -452.083
where: short stacking energy: -199.768
Base-Backbone interact. energy: -1.936
local terms energy: -213.947229
where:
bonds (distance) C4'-P energy: -38.323
bonds (distance) P-C4' energy: -45.055
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -57.121
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: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -646.872367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.872367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.872367 (E_RNA)
where:
Base-Base interactions energy: -443.290
where: short stacking energy: -192.589
Base-Backbone interact. energy: -0.771
local terms energy: -202.811421
where:
bonds (distance) C4'-P energy: -44.559
bonds (distance) P-C4' energy: -35.110
flat angles C4'-P-C4' energy: -37.951
flat angles P-C4'-P energy: -30.290
tors. eta vs tors. theta energy: -54.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -546.464507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.464507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.464507 (E_RNA)
where:
Base-Base interactions energy: -367.758
where: short stacking energy: -157.618
Base-Backbone interact. energy: -0.596
local terms energy: -178.110280
where:
bonds (distance) C4'-P energy: -36.586
bonds (distance) P-C4' energy: -33.681
flat angles C4'-P-C4' energy: -35.026
flat angles P-C4'-P energy: -30.148
tors. eta vs tors. theta energy: -42.670
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: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -521.523188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.523188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.523188 (E_RNA)
where:
Base-Base interactions energy: -329.596
where: short stacking energy: -158.502
Base-Backbone interact. energy: -0.475
local terms energy: -191.452817
where:
bonds (distance) C4'-P energy: -38.735
bonds (distance) P-C4' energy: -42.989
flat angles C4'-P-C4' energy: -38.389
flat angles P-C4'-P energy: -31.248
tors. eta vs tors. theta energy: -40.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -398.816880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.816880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.816880 (E_RNA)
where:
Base-Base interactions energy: -239.127
where: short stacking energy: -113.428
Base-Backbone interact. energy: -0.555
local terms energy: -159.134413
where:
bonds (distance) C4'-P energy: -39.451
bonds (distance) P-C4' energy: -41.771
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -26.782
tors. eta vs tors. theta energy: -18.304
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: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -227.406871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.406871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.406871 (E_RNA)
where:
Base-Base interactions energy: -98.972
where: short stacking energy: -78.251
Base-Backbone interact. energy: -0.658
local terms energy: -127.776913
where:
bonds (distance) C4'-P energy: -39.485
bonds (distance) P-C4' energy: -42.753
flat angles C4'-P-C4' energy: -32.183
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: 4.444
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: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -199.989117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.989117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.989117 (E_RNA)
where:
Base-Base interactions energy: -70.031
where: short stacking energy: -66.083
Base-Backbone interact. energy: 2.555
local terms energy: -132.513154
where:
bonds (distance) C4'-P energy: -43.294
bonds (distance) P-C4' energy: -36.144
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -23.622
tors. eta vs tors. theta energy: 0.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -738.779351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.779351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.779351 (E_RNA)
where:
Base-Base interactions energy: -500.595
where: short stacking energy: -216.243
Base-Backbone interact. energy: -2.381
local terms energy: -235.802957
where:
bonds (distance) C4'-P energy: -39.156
bonds (distance) P-C4' energy: -45.962
flat angles C4'-P-C4' energy: -52.799
flat angles P-C4'-P energy: -33.892
tors. eta vs tors. theta energy: -63.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -737.192163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.192163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.192163 (E_RNA)
where:
Base-Base interactions energy: -500.277
where: short stacking energy: -220.305
Base-Backbone interact. energy: -1.556
local terms energy: -235.359077
where:
bonds (distance) C4'-P energy: -42.226
bonds (distance) P-C4' energy: -49.788
flat angles C4'-P-C4' energy: -43.304
flat angles P-C4'-P energy: -28.578
tors. eta vs tors. theta energy: -71.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -660.301521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.301521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.301521 (E_RNA)
where:
Base-Base interactions energy: -447.411
where: short stacking energy: -194.704
Base-Backbone interact. energy: -0.063
local terms energy: -212.827244
where:
bonds (distance) C4'-P energy: -38.108
bonds (distance) P-C4' energy: -41.263
flat angles C4'-P-C4' energy: -49.362
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -57.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -702.512699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.512699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.512699 (E_RNA)
where:
Base-Base interactions energy: -475.887
where: short stacking energy: -216.292
Base-Backbone interact. energy: -0.355
local terms energy: -226.270072
where:
bonds (distance) C4'-P energy: -41.947
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -46.074
flat angles P-C4'-P energy: -36.040
tors. eta vs tors. theta energy: -61.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -627.801179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.801179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.801179 (E_RNA)
where:
Base-Base interactions energy: -429.546
where: short stacking energy: -196.467
Base-Backbone interact. energy: -1.743
local terms energy: -196.512161
where:
bonds (distance) C4'-P energy: -42.030
bonds (distance) P-C4' energy: -36.256
flat angles C4'-P-C4' energy: -48.267
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: -47.070
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: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -523.315755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.315755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.315755 (E_RNA)
where:
Base-Base interactions energy: -349.019
where: short stacking energy: -156.561
Base-Backbone interact. energy: 0.343
local terms energy: -174.639969
where:
bonds (distance) C4'-P energy: -38.072
bonds (distance) P-C4' energy: -41.235
flat angles C4'-P-C4' energy: -37.911
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -39.741
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: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -497.677686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.677686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.677686 (E_RNA)
where:
Base-Base interactions energy: -328.776
where: short stacking energy: -157.093
Base-Backbone interact. energy: 0.893
local terms energy: -169.794383
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -43.573
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -19.147
tors. eta vs tors. theta energy: -40.954
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: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -421.261547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.261547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.261547 (E_RNA)
where:
Base-Base interactions energy: -266.157
where: short stacking energy: -123.374
Base-Backbone interact. energy: -1.310
local terms energy: -153.794729
where:
bonds (distance) C4'-P energy: -38.832
bonds (distance) P-C4' energy: -39.133
flat angles C4'-P-C4' energy: -38.497
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -24.969
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: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -217.047906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.047906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.047906 (E_RNA)
where:
Base-Base interactions energy: -89.282
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.822
local terms energy: -126.944621
where:
bonds (distance) C4'-P energy: -33.820
bonds (distance) P-C4' energy: -37.562
flat angles C4'-P-C4' energy: -26.240
flat angles P-C4'-P energy: -21.910
tors. eta vs tors. theta energy: -7.412
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: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -182.934669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.934669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.934669 (E_RNA)
where:
Base-Base interactions energy: -62.262
where: short stacking energy: -50.829
Base-Backbone interact. energy: 0.218
local terms energy: -120.890494
where:
bonds (distance) C4'-P energy: -28.858
bonds (distance) P-C4' energy: -42.358
flat angles C4'-P-C4' energy: -32.691
flat angles P-C4'-P energy: -20.694
tors. eta vs tors. theta energy: 3.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -748.904564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.904564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.904564 (E_RNA)
where:
Base-Base interactions energy: -513.236
where: short stacking energy: -209.732
Base-Backbone interact. energy: 0.946
local terms energy: -236.615115
where:
bonds (distance) C4'-P energy: -50.252
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -49.867
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: -57.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -724.375836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.375836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.375836 (E_RNA)
where:
Base-Base interactions energy: -488.955
where: short stacking energy: -220.793
Base-Backbone interact. energy: 0.915
local terms energy: -236.335844
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -42.212
flat angles C4'-P-C4' energy: -53.308
flat angles P-C4'-P energy: -31.558
tors. eta vs tors. theta energy: -63.838
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: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -655.653323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.653323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.653323 (E_RNA)
where:
Base-Base interactions energy: -433.981
where: short stacking energy: -205.298
Base-Backbone interact. energy: -0.057
local terms energy: -221.615330
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -45.982
flat angles C4'-P-C4' energy: -48.290
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: -56.499
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: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -706.233051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.233051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.233051 (E_RNA)
where:
Base-Base interactions energy: -469.325
where: short stacking energy: -194.769
Base-Backbone interact. energy: -2.729
local terms energy: -234.179801
where:
bonds (distance) C4'-P energy: -40.472
bonds (distance) P-C4' energy: -52.489
flat angles C4'-P-C4' energy: -46.639
flat angles P-C4'-P energy: -33.403
tors. eta vs tors. theta energy: -61.175
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: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -610.734455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.734455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.734455 (E_RNA)
where:
Base-Base interactions energy: -402.774
where: short stacking energy: -171.462
Base-Backbone interact. energy: 0.231
local terms energy: -208.190815
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -43.883
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: -45.012
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: 6
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -518.139779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.139779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.139779 (E_RNA)
where:
Base-Base interactions energy: -339.657
where: short stacking energy: -151.952
Base-Backbone interact. energy: 0.705
local terms energy: -179.188319
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -42.493
flat angles C4'-P-C4' energy: -47.297
flat angles P-C4'-P energy: -20.907
tors. eta vs tors. theta energy: -37.559
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: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -496.819619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.819619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.819619 (E_RNA)
where:
Base-Base interactions energy: -318.191
where: short stacking energy: -164.366
Base-Backbone interact. energy: -0.754
local terms energy: -177.874636
where:
bonds (distance) C4'-P energy: -30.846
bonds (distance) P-C4' energy: -34.364
flat angles C4'-P-C4' energy: -45.855
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -37.282
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: 3
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -445.423219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.423219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.423219 (E_RNA)
where:
Base-Base interactions energy: -292.279
where: short stacking energy: -132.048
Base-Backbone interact. energy: -0.991
local terms energy: -152.153009
where:
bonds (distance) C4'-P energy: -28.602
bonds (distance) P-C4' energy: -36.615
flat angles C4'-P-C4' energy: -37.598
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -29.027
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: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -247.327840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.327840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.327840 (E_RNA)
where:
Base-Base interactions energy: -119.152
where: short stacking energy: -92.303
Base-Backbone interact. energy: -0.259
local terms energy: -127.916917
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -39.455
flat angles C4'-P-C4' energy: -41.461
flat angles P-C4'-P energy: -17.885
tors. eta vs tors. theta energy: -4.859
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: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -211.418466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.418466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.418466 (E_RNA)
where:
Base-Base interactions energy: -103.614
where: short stacking energy: -70.395
Base-Backbone interact. energy: 0.526
local terms energy: -108.330519
where:
bonds (distance) C4'-P energy: -37.489
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -31.252
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: 4.112
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: 4
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -753.257419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.257419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.257419 (E_RNA)
where:
Base-Base interactions energy: -536.278
where: short stacking energy: -227.009
Base-Backbone interact. energy: -0.931
local terms energy: -216.048036
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -41.769
flat angles C4'-P-C4' energy: -46.370
flat angles P-C4'-P energy: -29.235
tors. eta vs tors. theta energy: -62.275
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: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -714.760818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.760818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.760818 (E_RNA)
where:
Base-Base interactions energy: -475.824
where: short stacking energy: -217.851
Base-Backbone interact. energy: -0.308
local terms energy: -238.627852
where:
bonds (distance) C4'-P energy: -44.621
bonds (distance) P-C4' energy: -40.562
flat angles C4'-P-C4' energy: -53.234
flat angles P-C4'-P energy: -33.274
tors. eta vs tors. theta energy: -66.935
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: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -729.867772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.867772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.867772 (E_RNA)
where:
Base-Base interactions energy: -514.168
where: short stacking energy: -218.110
Base-Backbone interact. energy: -1.347
local terms energy: -214.352103
where:
bonds (distance) C4'-P energy: -38.075
bonds (distance) P-C4' energy: -34.081
flat angles C4'-P-C4' energy: -47.863
flat angles P-C4'-P energy: -30.935
tors. eta vs tors. theta energy: -63.397
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: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -654.054538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.054538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.054538 (E_RNA)
where:
Base-Base interactions energy: -445.399
where: short stacking energy: -203.725
Base-Backbone interact. energy: -0.705
local terms energy: -207.950489
where:
bonds (distance) C4'-P energy: -42.173
bonds (distance) P-C4' energy: -39.186
flat angles C4'-P-C4' energy: -47.191
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -54.899
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: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -651.816568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.816568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.816568 (E_RNA)
where:
Base-Base interactions energy: -450.666
where: short stacking energy: -199.211
Base-Backbone interact. energy: -0.455
local terms energy: -200.695115
where:
bonds (distance) C4'-P energy: -45.681
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -43.604
flat angles P-C4'-P energy: -21.594
tors. eta vs tors. theta energy: -53.059
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: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -514.980992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.980992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.980992 (E_RNA)
where:
Base-Base interactions energy: -328.591
where: short stacking energy: -148.802
Base-Backbone interact. energy: -0.406
local terms energy: -185.984071
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -41.652
flat angles C4'-P-C4' energy: -43.931
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -39.020
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: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -517.818812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.818812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.818812 (E_RNA)
where:
Base-Base interactions energy: -332.498
where: short stacking energy: -150.016
Base-Backbone interact. energy: -0.855
local terms energy: -184.466501
where:
bonds (distance) C4'-P energy: -41.162
bonds (distance) P-C4' energy: -40.055
flat angles C4'-P-C4' energy: -40.194
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -39.961
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: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -463.813116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.813116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.813116 (E_RNA)
where:
Base-Base interactions energy: -269.428
where: short stacking energy: -129.684
Base-Backbone interact. energy: 2.250
local terms energy: -196.634724
where:
bonds (distance) C4'-P energy: -44.794
bonds (distance) P-C4' energy: -45.334
flat angles C4'-P-C4' energy: -42.790
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -37.388
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: 9, replica: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -228.256177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.256177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.256177 (E_RNA)
where:
Base-Base interactions energy: -100.016
where: short stacking energy: -84.855
Base-Backbone interact. energy: -0.592
local terms energy: -127.647379
where:
bonds (distance) C4'-P energy: -38.050
bonds (distance) P-C4' energy: -36.047
flat angles C4'-P-C4' energy: -25.815
flat angles P-C4'-P energy: -20.881
tors. eta vs tors. theta energy: -6.854
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: 9
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -204.125901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.125901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.125901 (E_RNA)
where:
Base-Base interactions energy: -83.359
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.570
local terms energy: -120.196738
where:
bonds (distance) C4'-P energy: -30.551
bonds (distance) P-C4' energy: -43.420
flat angles C4'-P-C4' energy: -30.658
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: 0.131
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: 1, replica: 4
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -745.492245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.492245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.492245 (E_RNA)
where:
Base-Base interactions energy: -511.765
where: short stacking energy: -218.231
Base-Backbone interact. energy: -1.831
local terms energy: -231.896736
where:
bonds (distance) C4'-P energy: -47.564
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -52.685
flat angles P-C4'-P energy: -36.882
tors. eta vs tors. theta energy: -54.699
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: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -720.643460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.643460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.643460 (E_RNA)
where:
Base-Base interactions energy: -493.420
where: short stacking energy: -208.006
Base-Backbone interact. energy: -1.417
local terms energy: -225.806845
where:
bonds (distance) C4'-P energy: -41.072
bonds (distance) P-C4' energy: -45.811
flat angles C4'-P-C4' energy: -42.215
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -59.244
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: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -708.876381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.876381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.876381 (E_RNA)
where:
Base-Base interactions energy: -479.824
where: short stacking energy: -208.224
Base-Backbone interact. energy: -1.226
local terms energy: -227.825897
where:
bonds (distance) C4'-P energy: -44.537
bonds (distance) P-C4' energy: -44.642
flat angles C4'-P-C4' energy: -42.977
flat angles P-C4'-P energy: -31.889
tors. eta vs tors. theta energy: -63.781
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: 4, replica: 1
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -668.182395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.182395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.182395 (E_RNA)
where:
Base-Base interactions energy: -454.278
where: short stacking energy: -210.597
Base-Backbone interact. energy: -0.531
local terms energy: -213.373165
where:
bonds (distance) C4'-P energy: -44.622
bonds (distance) P-C4' energy: -40.169
flat angles C4'-P-C4' energy: -44.314
flat angles P-C4'-P energy: -29.463
tors. eta vs tors. theta energy: -54.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -629.949872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.949872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.949872 (E_RNA)
where:
Base-Base interactions energy: -434.126
where: short stacking energy: -179.039
Base-Backbone interact. energy: -1.027
local terms energy: -194.796645
where:
bonds (distance) C4'-P energy: -29.712
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -39.363
flat angles P-C4'-P energy: -32.589
tors. eta vs tors. theta energy: -50.073
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: 6, replica: 6
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -576.796163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.796163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.796163 (E_RNA)
where:
Base-Base interactions energy: -375.538
where: short stacking energy: -180.275
Base-Backbone interact. energy: -2.437
local terms energy: -198.821386
where:
bonds (distance) C4'-P energy: -38.616
bonds (distance) P-C4' energy: -39.255
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -28.647
tors. eta vs tors. theta energy: -52.146
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: 7, replica: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -523.651741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.651741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.651741 (E_RNA)
where:
Base-Base interactions energy: -340.483
where: short stacking energy: -163.307
Base-Backbone interact. energy: 0.315
local terms energy: -183.484194
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -47.735
flat angles C4'-P-C4' energy: -36.415
flat angles P-C4'-P energy: -21.241
tors. eta vs tors. theta energy: -40.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -472.162495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.162495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.162495 (E_RNA)
where:
Base-Base interactions energy: -313.066
where: short stacking energy: -140.019
Base-Backbone interact. energy: 1.099
local terms energy: -160.195635
where:
bonds (distance) C4'-P energy: -30.861
bonds (distance) P-C4' energy: -39.185
flat angles C4'-P-C4' energy: -33.099
flat angles P-C4'-P energy: -26.645
tors. eta vs tors. theta energy: -30.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -216.513742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.513742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.513742 (E_RNA)
where:
Base-Base interactions energy: -87.614
where: short stacking energy: -70.360
Base-Backbone interact. energy: -0.237
local terms energy: -128.663389
where:
bonds (distance) C4'-P energy: -33.352
bonds (distance) P-C4' energy: -36.740
flat angles C4'-P-C4' energy: -36.531
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -5.303
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: 10, replica: 9
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -189.163487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.163487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.163487 (E_RNA)
where:
Base-Base interactions energy: -49.171
where: short stacking energy: -46.073
Base-Backbone interact. energy: -0.849
local terms energy: -139.143542
where:
bonds (distance) C4'-P energy: -35.956
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -29.930
flat angles P-C4'-P energy: -26.233
tors. eta vs tors. theta energy: -1.933
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: 1, replica: 4
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -722.051958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.051958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.051958 (E_RNA)
where:
Base-Base interactions energy: -500.492
where: short stacking energy: -203.632
Base-Backbone interact. energy: -0.850
local terms energy: -220.710230
where:
bonds (distance) C4'-P energy: -42.795
bonds (distance) P-C4' energy: -45.189
flat angles C4'-P-C4' energy: -43.652
flat angles P-C4'-P energy: -31.406
tors. eta vs tors. theta energy: -57.668
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: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -729.766936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.766936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.766936 (E_RNA)
where:
Base-Base interactions energy: -519.006
where: short stacking energy: -208.784
Base-Backbone interact. energy: -0.640
local terms energy: -210.120735
where:
bonds (distance) C4'-P energy: -39.006
bonds (distance) P-C4' energy: -40.995
flat angles C4'-P-C4' energy: -43.751
flat angles P-C4'-P energy: -26.070
tors. eta vs tors. theta energy: -60.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -725.597270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.597270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.597270 (E_RNA)
where:
Base-Base interactions energy: -486.949
where: short stacking energy: -221.476
Base-Backbone interact. energy: -1.330
local terms energy: -237.318508
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -48.061
flat angles P-C4'-P energy: -31.948
tors. eta vs tors. theta energy: -65.470
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: 4, replica: 1
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -651.767374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.767374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.767374 (E_RNA)
where:
Base-Base interactions energy: -429.175
where: short stacking energy: -208.428
Base-Backbone interact. energy: 0.119
local terms energy: -222.711532
where:
bonds (distance) C4'-P energy: -49.339
bonds (distance) P-C4' energy: -38.203
flat angles C4'-P-C4' energy: -49.629
flat angles P-C4'-P energy: -25.475
tors. eta vs tors. theta energy: -60.066
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: 5, replica: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -613.805261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.805261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.805261 (E_RNA)
where:
Base-Base interactions energy: -413.005
where: short stacking energy: -185.648
Base-Backbone interact. energy: -1.559
local terms energy: -199.240694
where:
bonds (distance) C4'-P energy: -38.061
bonds (distance) P-C4' energy: -38.303
flat angles C4'-P-C4' energy: -45.192
flat angles P-C4'-P energy: -25.933
tors. eta vs tors. theta energy: -51.751
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: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -502.483366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.483366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.483366 (E_RNA)
where:
Base-Base interactions energy: -327.868
where: short stacking energy: -151.692
Base-Backbone interact. energy: -2.724
local terms energy: -171.890935
where:
bonds (distance) C4'-P energy: -48.546
bonds (distance) P-C4' energy: -34.879
flat angles C4'-P-C4' energy: -37.720
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -36.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -513.603060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.603060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.603060 (E_RNA)
where:
Base-Base interactions energy: -330.471
where: short stacking energy: -161.280
Base-Backbone interact. energy: -1.330
local terms energy: -181.802737
where:
bonds (distance) C4'-P energy: -31.901
bonds (distance) P-C4' energy: -42.843
flat angles C4'-P-C4' energy: -38.823
flat angles P-C4'-P energy: -30.376
tors. eta vs tors. theta energy: -37.860
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: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -486.040113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.040113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.040113 (E_RNA)
where:
Base-Base interactions energy: -289.482
where: short stacking energy: -142.624
Base-Backbone interact. energy: -0.656
local terms energy: -195.901946
where:
bonds (distance) C4'-P energy: -38.604
bonds (distance) P-C4' energy: -44.997
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -38.641
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: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -257.589041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.589041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.589041 (E_RNA)
where:
Base-Base interactions energy: -123.232
where: short stacking energy: -93.383
Base-Backbone interact. energy: -1.079
local terms energy: -133.277800
where:
bonds (distance) C4'-P energy: -37.940
bonds (distance) P-C4' energy: -42.073
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -232.401296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.401296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.401296 (E_RNA)
where:
Base-Base interactions energy: -113.864
where: short stacking energy: -63.836
Base-Backbone interact. energy: -0.550
local terms energy: -117.988207
where:
bonds (distance) C4'-P energy: -32.280
bonds (distance) P-C4' energy: -44.696
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: 1.230
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: 4
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -750.975088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.975088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.975088 (E_RNA)
where:
Base-Base interactions energy: -517.283
where: short stacking energy: -223.605
Base-Backbone interact. energy: -2.405
local terms energy: -231.287302
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -47.150
flat angles C4'-P-C4' energy: -48.827
flat angles P-C4'-P energy: -28.027
tors. eta vs tors. theta energy: -60.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -741.683653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.683653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.683653 (E_RNA)
where:
Base-Base interactions energy: -508.190
where: short stacking energy: -201.647
Base-Backbone interact. energy: -1.851
local terms energy: -231.642319
where:
bonds (distance) C4'-P energy: -46.313
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -47.891
flat angles P-C4'-P energy: -34.501
tors. eta vs tors. theta energy: -61.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -696.690856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.690856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.690856 (E_RNA)
where:
Base-Base interactions energy: -471.583
where: short stacking energy: -218.549
Base-Backbone interact. energy: -0.050
local terms energy: -225.058201
where:
bonds (distance) C4'-P energy: -43.316
bonds (distance) P-C4' energy: -42.662
flat angles C4'-P-C4' energy: -48.457
flat angles P-C4'-P energy: -24.894
tors. eta vs tors. theta energy: -65.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -607.397394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.397394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.397394 (E_RNA)
where:
Base-Base interactions energy: -408.291
where: short stacking energy: -184.445
Base-Backbone interact. energy: -1.147
local terms energy: -197.959910
where:
bonds (distance) C4'-P energy: -35.103
bonds (distance) P-C4' energy: -41.235
flat angles C4'-P-C4' energy: -43.273
flat angles P-C4'-P energy: -31.023
tors. eta vs tors. theta energy: -47.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -628.712421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.712421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.712421 (E_RNA)
where:
Base-Base interactions energy: -418.928
where: short stacking energy: -188.553
Base-Backbone interact. energy: -0.188
local terms energy: -209.596719
where:
bonds (distance) C4'-P energy: -37.376
bonds (distance) P-C4' energy: -36.691
flat angles C4'-P-C4' energy: -44.659
flat angles P-C4'-P energy: -30.667
tors. eta vs tors. theta energy: -60.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -523.172141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.172141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.172141 (E_RNA)
where:
Base-Base interactions energy: -318.528
where: short stacking energy: -148.725
Base-Backbone interact. energy: -1.176
local terms energy: -203.468632
where:
bonds (distance) C4'-P energy: -44.146
bonds (distance) P-C4' energy: -47.318
flat angles C4'-P-C4' energy: -44.495
flat angles P-C4'-P energy: -28.953
tors. eta vs tors. theta energy: -38.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -490.827528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.827528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.827528 (E_RNA)
where:
Base-Base interactions energy: -319.403
where: short stacking energy: -156.788
Base-Backbone interact. energy: -0.811
local terms energy: -170.613800
where:
bonds (distance) C4'-P energy: -37.290
bonds (distance) P-C4' energy: -41.312
flat angles C4'-P-C4' energy: -36.036
flat angles P-C4'-P energy: -25.987
tors. eta vs tors. theta energy: -29.990
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: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -434.766529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.766529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.766529 (E_RNA)
where:
Base-Base interactions energy: -256.799
where: short stacking energy: -124.221
Base-Backbone interact. energy: -0.387
local terms energy: -177.580927
where:
bonds (distance) C4'-P energy: -41.589
bonds (distance) P-C4' energy: -40.695
flat angles C4'-P-C4' energy: -37.818
flat angles P-C4'-P energy: -28.068
tors. eta vs tors. theta energy: -29.410
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: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -256.929778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.929778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.929778 (E_RNA)
where:
Base-Base interactions energy: -119.071
where: short stacking energy: -81.571
Base-Backbone interact. energy: 2.807
local terms energy: -140.665981
where:
bonds (distance) C4'-P energy: -39.584
bonds (distance) P-C4' energy: -41.498
flat angles C4'-P-C4' energy: -30.145
flat angles P-C4'-P energy: -27.272
tors. eta vs tors. theta energy: -2.167
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: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -216.478673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.478673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.478673 (E_RNA)
where:
Base-Base interactions energy: -101.456
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.249
local terms energy: -114.773786
where:
bonds (distance) C4'-P energy: -32.877
bonds (distance) P-C4' energy: -45.917
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: 8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -750.512645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.512645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.512645 (E_RNA)
where:
Base-Base interactions energy: -522.226
where: short stacking energy: -226.259
Base-Backbone interact. energy: -0.641
local terms energy: -227.644892
where:
bonds (distance) C4'-P energy: -37.980
bonds (distance) P-C4' energy: -45.860
flat angles C4'-P-C4' energy: -45.267
flat angles P-C4'-P energy: -33.031
tors. eta vs tors. theta energy: -65.507
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: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -709.186374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.186374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.186374 (E_RNA)
where:
Base-Base interactions energy: -478.828
where: short stacking energy: -222.262
Base-Backbone interact. energy: 0.438
local terms energy: -230.796460
where:
bonds (distance) C4'-P energy: -44.797
bonds (distance) P-C4' energy: -41.075
flat angles C4'-P-C4' energy: -48.406
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: -62.750
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: 3, replica: 5
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -715.912266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.912266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.912266 (E_RNA)
where:
Base-Base interactions energy: -487.221
where: short stacking energy: -223.911
Base-Backbone interact. energy: -0.678
local terms energy: -228.013922
where:
bonds (distance) C4'-P energy: -45.145
bonds (distance) P-C4' energy: -42.352
flat angles C4'-P-C4' energy: -48.238
flat angles P-C4'-P energy: -29.599
tors. eta vs tors. theta energy: -62.679
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: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -606.440958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.440958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.440958 (E_RNA)
where:
Base-Base interactions energy: -392.985
where: short stacking energy: -176.390
Base-Backbone interact. energy: 1.131
local terms energy: -214.586336
where:
bonds (distance) C4'-P energy: -48.129
bonds (distance) P-C4' energy: -48.108
flat angles C4'-P-C4' energy: -39.928
flat angles P-C4'-P energy: -33.686
tors. eta vs tors. theta energy: -44.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -622.488952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.488952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.488952 (E_RNA)
where:
Base-Base interactions energy: -406.770
where: short stacking energy: -181.723
Base-Backbone interact. energy: -0.919
local terms energy: -214.800257
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -37.224
flat angles C4'-P-C4' energy: -44.509
flat angles P-C4'-P energy: -34.472
tors. eta vs tors. theta energy: -55.366
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: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -558.395448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.395448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.395448 (E_RNA)
where:
Base-Base interactions energy: -374.692
where: short stacking energy: -168.464
Base-Backbone interact. energy: -1.103
local terms energy: -182.601123
where:
bonds (distance) C4'-P energy: -39.483
bonds (distance) P-C4' energy: -43.976
flat angles C4'-P-C4' energy: -32.370
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -39.967
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: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -458.111180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.111180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.111180 (E_RNA)
where:
Base-Base interactions energy: -292.413
where: short stacking energy: -138.339
Base-Backbone interact. energy: -1.038
local terms energy: -164.660113
where:
bonds (distance) C4'-P energy: -24.759
bonds (distance) P-C4' energy: -40.760
flat angles C4'-P-C4' energy: -46.579
flat angles P-C4'-P energy: -21.349
tors. eta vs tors. theta energy: -31.213
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: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -464.613184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.613184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.613184 (E_RNA)
where:
Base-Base interactions energy: -319.927
where: short stacking energy: -148.812
Base-Backbone interact. energy: -1.133
local terms energy: -143.553378
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -33.991
flat angles C4'-P-C4' energy: -34.491
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -251.129506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.129506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.129506 (E_RNA)
where:
Base-Base interactions energy: -116.081
where: short stacking energy: -75.920
Base-Backbone interact. energy: -0.302
local terms energy: -134.746243
where:
bonds (distance) C4'-P energy: -29.159
bonds (distance) P-C4' energy: -35.882
flat angles C4'-P-C4' energy: -44.266
flat angles P-C4'-P energy: -26.315
tors. eta vs tors. theta energy: 0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -215.650341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.650341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.650341 (E_RNA)
where:
Base-Base interactions energy: -91.609
where: short stacking energy: -80.929
Base-Backbone interact. energy: 1.427
local terms energy: -125.468272
where:
bonds (distance) C4'-P energy: -33.648
bonds (distance) P-C4' energy: -34.499
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -24.410
tors. eta vs tors. theta energy: -2.214
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: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -751.861016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.861016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.861016 (E_RNA)
where:
Base-Base interactions energy: -514.871
where: short stacking energy: -216.649
Base-Backbone interact. energy: -1.720
local terms energy: -235.270007
where:
bonds (distance) C4'-P energy: -47.089
bonds (distance) P-C4' energy: -43.201
flat angles C4'-P-C4' energy: -48.694
flat angles P-C4'-P energy: -36.328
tors. eta vs tors. theta energy: -59.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -721.598910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.598910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.598910 (E_RNA)
where:
Base-Base interactions energy: -499.495
where: short stacking energy: -205.691
Base-Backbone interact. energy: 0.504
local terms energy: -222.608020
where:
bonds (distance) C4'-P energy: -45.251
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -44.952
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: -59.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -699.493127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.493127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.493127 (E_RNA)
where:
Base-Base interactions energy: -479.001
where: short stacking energy: -217.979
Base-Backbone interact. energy: -0.297
local terms energy: -220.195127
where:
bonds (distance) C4'-P energy: -35.772
bonds (distance) P-C4' energy: -38.755
flat angles C4'-P-C4' energy: -44.114
flat angles P-C4'-P energy: -37.275
tors. eta vs tors. theta energy: -64.280
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: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -636.682224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.682224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.682224 (E_RNA)
where:
Base-Base interactions energy: -415.908
where: short stacking energy: -183.682
Base-Backbone interact. energy: -0.366
local terms energy: -220.408622
where:
bonds (distance) C4'-P energy: -42.229
bonds (distance) P-C4' energy: -49.618
flat angles C4'-P-C4' energy: -42.818
flat angles P-C4'-P energy: -28.053
tors. eta vs tors. theta energy: -57.691
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: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -607.363363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.363363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.363363 (E_RNA)
where:
Base-Base interactions energy: -408.166
where: short stacking energy: -173.051
Base-Backbone interact. energy: -0.442
local terms energy: -198.755546
where:
bonds (distance) C4'-P energy: -35.883
bonds (distance) P-C4' energy: -45.900
flat angles C4'-P-C4' energy: -41.705
flat angles P-C4'-P energy: -27.810
tors. eta vs tors. theta energy: -47.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -550.800035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.800035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.800035 (E_RNA)
where:
Base-Base interactions energy: -378.265
where: short stacking energy: -172.190
Base-Backbone interact. energy: 0.344
local terms energy: -172.879530
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -39.959
flat angles C4'-P-C4' energy: -35.432
flat angles P-C4'-P energy: -22.822
tors. eta vs tors. theta energy: -40.037
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: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -468.648735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.648735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.648735 (E_RNA)
where:
Base-Base interactions energy: -296.149
where: short stacking energy: -147.230
Base-Backbone interact. energy: -0.447
local terms energy: -172.052262
where:
bonds (distance) C4'-P energy: -43.150
bonds (distance) P-C4' energy: -37.105
flat angles C4'-P-C4' energy: -36.050
flat angles P-C4'-P energy: -26.478
tors. eta vs tors. theta energy: -29.269
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: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -506.084596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.084596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.084596 (E_RNA)
where:
Base-Base interactions energy: -333.284
where: short stacking energy: -157.772
Base-Backbone interact. energy: -0.271
local terms energy: -172.529481
where:
bonds (distance) C4'-P energy: -29.485
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -43.751
flat angles P-C4'-P energy: -19.174
tors. eta vs tors. theta energy: -41.393
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: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -233.373940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.373940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.373940 (E_RNA)
where:
Base-Base interactions energy: -102.676
where: short stacking energy: -85.841
Base-Backbone interact. energy: 2.391
local terms energy: -133.088534
where:
bonds (distance) C4'-P energy: -34.477
bonds (distance) P-C4' energy: -30.709
flat angles C4'-P-C4' energy: -27.106
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -7.104
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: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -191.968061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.968061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.968061 (E_RNA)
where:
Base-Base interactions energy: -66.482
where: short stacking energy: -64.591
Base-Backbone interact. energy: -0.638
local terms energy: -124.848801
where:
bonds (distance) C4'-P energy: -37.212
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -36.324
flat angles P-C4'-P energy: -19.875
tors. eta vs tors. theta energy: 6.853
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: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -742.635396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.635396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.635396 (E_RNA)
where:
Base-Base interactions energy: -501.920
where: short stacking energy: -227.564
Base-Backbone interact. energy: -0.340
local terms energy: -240.374774
where:
bonds (distance) C4'-P energy: -42.377
bonds (distance) P-C4' energy: -46.384
flat angles C4'-P-C4' energy: -52.654
flat angles P-C4'-P energy: -36.503
tors. eta vs tors. theta energy: -62.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -737.248422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.248422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.248422 (E_RNA)
where:
Base-Base interactions energy: -509.424
where: short stacking energy: -223.944
Base-Backbone interact. energy: -0.522
local terms energy: -227.302612
where:
bonds (distance) C4'-P energy: -39.952
bonds (distance) P-C4' energy: -42.842
flat angles C4'-P-C4' energy: -46.756
flat angles P-C4'-P energy: -35.077
tors. eta vs tors. theta energy: -62.677
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: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -652.840015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.840015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.840015 (E_RNA)
where:
Base-Base interactions energy: -435.146
where: short stacking energy: -199.940
Base-Backbone interact. energy: -0.379
local terms energy: -217.315120
where:
bonds (distance) C4'-P energy: -38.237
bonds (distance) P-C4' energy: -47.744
flat angles C4'-P-C4' energy: -46.349
flat angles P-C4'-P energy: -30.614
tors. eta vs tors. theta energy: -54.372
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: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -671.994920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.994920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.994920 (E_RNA)
where:
Base-Base interactions energy: -454.131
where: short stacking energy: -195.789
Base-Backbone interact. energy: -1.233
local terms energy: -216.630373
where:
bonds (distance) C4'-P energy: -35.765
bonds (distance) P-C4' energy: -44.437
flat angles C4'-P-C4' energy: -49.109
flat angles P-C4'-P energy: -31.241
tors. eta vs tors. theta energy: -56.078
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: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -581.510520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.510520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.510520 (E_RNA)
where:
Base-Base interactions energy: -389.724
where: short stacking energy: -192.174
Base-Backbone interact. energy: -0.169
local terms energy: -191.617643
where:
bonds (distance) C4'-P energy: -47.821
bonds (distance) P-C4' energy: -30.207
flat angles C4'-P-C4' energy: -43.608
flat angles P-C4'-P energy: -19.678
tors. eta vs tors. theta energy: -50.302
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: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -574.860291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.860291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.860291 (E_RNA)
where:
Base-Base interactions energy: -370.475
where: short stacking energy: -169.298
Base-Backbone interact. energy: -0.647
local terms energy: -203.738535
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -42.792
flat angles C4'-P-C4' energy: -49.186
flat angles P-C4'-P energy: -35.344
tors. eta vs tors. theta energy: -38.237
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: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -507.604873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.604873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.604873 (E_RNA)
where:
Base-Base interactions energy: -329.743
where: short stacking energy: -156.435
Base-Backbone interact. energy: -0.826
local terms energy: -177.036409
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -45.024
flat angles C4'-P-C4' energy: -41.626
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -36.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -471.177306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.177306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.177306 (E_RNA)
where:
Base-Base interactions energy: -293.965
where: short stacking energy: -145.578
Base-Backbone interact. energy: -0.338
local terms energy: -176.874469
where:
bonds (distance) C4'-P energy: -40.922
bonds (distance) P-C4' energy: -38.616
flat angles C4'-P-C4' energy: -38.121
flat angles P-C4'-P energy: -23.024
tors. eta vs tors. theta energy: -36.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -235.051292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.051292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.051292 (E_RNA)
where:
Base-Base interactions energy: -110.114
where: short stacking energy: -80.893
Base-Backbone interact. energy: -0.423
local terms energy: -124.514324
where:
bonds (distance) C4'-P energy: -31.741
bonds (distance) P-C4' energy: -38.190
flat angles C4'-P-C4' energy: -28.792
flat angles P-C4'-P energy: -20.405
tors. eta vs tors. theta energy: -5.386
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: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -210.376965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.376965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.376965 (E_RNA)
where:
Base-Base interactions energy: -76.508
where: short stacking energy: -55.855
Base-Backbone interact. energy: 0.992
local terms energy: -134.860322
where:
bonds (distance) C4'-P energy: -31.596
bonds (distance) P-C4' energy: -43.774
flat angles C4'-P-C4' energy: -37.165
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -4.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -762.986483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.986483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.986483 (E_RNA)
where:
Base-Base interactions energy: -515.104
where: short stacking energy: -223.039
Base-Backbone interact. energy: -0.743
local terms energy: -247.139606
where:
bonds (distance) C4'-P energy: -42.597
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -52.509
flat angles P-C4'-P energy: -38.667
tors. eta vs tors. theta energy: -69.556
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: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -720.663880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.663880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.663880 (E_RNA)
where:
Base-Base interactions energy: -497.127
where: short stacking energy: -222.311
Base-Backbone interact. energy: -0.484
local terms energy: -223.052964
where:
bonds (distance) C4'-P energy: -39.537
bonds (distance) P-C4' energy: -42.599
flat angles C4'-P-C4' energy: -48.145
flat angles P-C4'-P energy: -32.960
tors. eta vs tors. theta energy: -59.812
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: 3, replica: 1
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -657.906933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.906933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.906933 (E_RNA)
where:
Base-Base interactions energy: -432.171
where: short stacking energy: -207.746
Base-Backbone interact. energy: -1.351
local terms energy: -224.385231
where:
bonds (distance) C4'-P energy: -39.380
bonds (distance) P-C4' energy: -47.406
flat angles C4'-P-C4' energy: -47.357
flat angles P-C4'-P energy: -30.544
tors. eta vs tors. theta energy: -59.698
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: 4, replica: 5
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -683.708265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.708265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.708265 (E_RNA)
where:
Base-Base interactions energy: -481.971
where: short stacking energy: -211.379
Base-Backbone interact. energy: -1.008
local terms energy: -200.728646
where:
bonds (distance) C4'-P energy: -36.684
bonds (distance) P-C4' energy: -33.969
flat angles C4'-P-C4' energy: -37.250
flat angles P-C4'-P energy: -29.949
tors. eta vs tors. theta energy: -62.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -619.694570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.694570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.694570 (E_RNA)
where:
Base-Base interactions energy: -420.173
where: short stacking energy: -176.714
Base-Backbone interact. energy: -0.635
local terms energy: -198.886816
where:
bonds (distance) C4'-P energy: -34.372
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -47.231
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -49.653
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: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -591.051006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.051006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.051006 (E_RNA)
where:
Base-Base interactions energy: -393.504
where: short stacking energy: -155.579
Base-Backbone interact. energy: -2.069
local terms energy: -195.477935
where:
bonds (distance) C4'-P energy: -37.696
bonds (distance) P-C4' energy: -47.132
flat angles C4'-P-C4' energy: -44.145
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -37.882
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: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -513.254763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.254763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.254763 (E_RNA)
where:
Base-Base interactions energy: -334.725
where: short stacking energy: -160.962
Base-Backbone interact. energy: -0.620
local terms energy: -177.910027
where:
bonds (distance) C4'-P energy: -40.168
bonds (distance) P-C4' energy: -38.639
flat angles C4'-P-C4' energy: -41.567
flat angles P-C4'-P energy: -17.319
tors. eta vs tors. theta energy: -40.218
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: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -466.151520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.151520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.151520 (E_RNA)
where:
Base-Base interactions energy: -312.679
where: short stacking energy: -133.123
Base-Backbone interact. energy: -0.828
local terms energy: -152.644279
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -38.870
flat angles C4'-P-C4' energy: -34.217
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -26.369
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: 9, replica: 10
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -226.616847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.616847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.616847 (E_RNA)
where:
Base-Base interactions energy: -85.143
where: short stacking energy: -75.711
Base-Backbone interact. energy: 1.238
local terms energy: -142.712448
where:
bonds (distance) C4'-P energy: -42.712
bonds (distance) P-C4' energy: -41.310
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -6.381
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: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -200.875558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.875558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.875558 (E_RNA)
where:
Base-Base interactions energy: -79.741
where: short stacking energy: -65.447
Base-Backbone interact. energy: -0.640
local terms energy: -120.494207
where:
bonds (distance) C4'-P energy: -39.102
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: 2.025
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: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -762.637097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.637097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.637097 (E_RNA)
where:
Base-Base interactions energy: -520.329
where: short stacking energy: -226.944
Base-Backbone interact. energy: -2.202
local terms energy: -240.105596
where:
bonds (distance) C4'-P energy: -43.404
bonds (distance) P-C4' energy: -42.181
flat angles C4'-P-C4' energy: -49.939
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -65.999
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: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -729.230120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.230120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.230120 (E_RNA)
where:
Base-Base interactions energy: -505.477
where: short stacking energy: -232.838
Base-Backbone interact. energy: -1.156
local terms energy: -222.597175
where:
bonds (distance) C4'-P energy: -36.479
bonds (distance) P-C4' energy: -43.554
flat angles C4'-P-C4' energy: -47.720
flat angles P-C4'-P energy: -33.122
tors. eta vs tors. theta energy: -61.722
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: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -700.662520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.662520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.662520 (E_RNA)
where:
Base-Base interactions energy: -473.608
where: short stacking energy: -211.768
Base-Backbone interact. energy: -0.329
local terms energy: -226.725582
where:
bonds (distance) C4'-P energy: -33.845
bonds (distance) P-C4' energy: -43.589
flat angles C4'-P-C4' energy: -52.383
flat angles P-C4'-P energy: -33.323
tors. eta vs tors. theta energy: -63.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -631.014182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.014182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.014182 (E_RNA)
where:
Base-Base interactions energy: -416.835
where: short stacking energy: -199.254
Base-Backbone interact. energy: -0.983
local terms energy: -213.196012
where:
bonds (distance) C4'-P energy: -43.419
bonds (distance) P-C4' energy: -38.720
flat angles C4'-P-C4' energy: -47.524
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -53.859
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: 5, replica: 7
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -612.968214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.968214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.968214 (E_RNA)
where:
Base-Base interactions energy: -424.444
where: short stacking energy: -190.934
Base-Backbone interact. energy: -1.252
local terms energy: -187.272228
where:
bonds (distance) C4'-P energy: -41.314
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -43.741
flat angles P-C4'-P energy: -25.337
tors. eta vs tors. theta energy: -42.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -604.475064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.475064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.475064 (E_RNA)
where:
Base-Base interactions energy: -406.728
where: short stacking energy: -199.969
Base-Backbone interact. energy: 0.081
local terms energy: -197.828340
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -42.564
flat angles C4'-P-C4' energy: -47.332
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -56.610
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: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -511.575204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.575204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.575204 (E_RNA)
where:
Base-Base interactions energy: -337.209
where: short stacking energy: -145.708
Base-Backbone interact. energy: 0.754
local terms energy: -175.119610
where:
bonds (distance) C4'-P energy: -31.675
bonds (distance) P-C4' energy: -43.567
flat angles C4'-P-C4' energy: -39.422
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -37.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -499.824486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.824486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.824486 (E_RNA)
where:
Base-Base interactions energy: -326.600
where: short stacking energy: -152.526
Base-Backbone interact. energy: -1.159
local terms energy: -172.064866
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -36.207
flat angles C4'-P-C4' energy: -39.670
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -35.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -208.627112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.627112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.627112 (E_RNA)
where:
Base-Base interactions energy: -68.585
where: short stacking energy: -52.278
Base-Backbone interact. energy: 1.388
local terms energy: -141.429814
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -38.492
flat angles C4'-P-C4' energy: -28.372
flat angles P-C4'-P energy: -33.610
tors. eta vs tors. theta energy: -7.251
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: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -200.002452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.002452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.002452 (E_RNA)
where:
Base-Base interactions energy: -76.405
where: short stacking energy: -50.843
Base-Backbone interact. energy: -0.771
local terms energy: -122.826318
where:
bonds (distance) C4'-P energy: -40.966
bonds (distance) P-C4' energy: -41.472
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -23.198
tors. eta vs tors. theta energy: 13.252
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: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -767.447826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.447826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.447826 (E_RNA)
where:
Base-Base interactions energy: -518.164
where: short stacking energy: -222.925
Base-Backbone interact. energy: -1.662
local terms energy: -247.621382
where:
bonds (distance) C4'-P energy: -46.213
bonds (distance) P-C4' energy: -50.497
flat angles C4'-P-C4' energy: -52.055
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -67.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -721.339381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.339381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.339381 (E_RNA)
where:
Base-Base interactions energy: -496.898
where: short stacking energy: -218.520
Base-Backbone interact. energy: -1.138
local terms energy: -223.303048
where:
bonds (distance) C4'-P energy: -42.576
bonds (distance) P-C4' energy: -39.192
flat angles C4'-P-C4' energy: -45.613
flat angles P-C4'-P energy: -35.263
tors. eta vs tors. theta energy: -60.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -722.561493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.561493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.561493 (E_RNA)
where:
Base-Base interactions energy: -488.861
where: short stacking energy: -219.444
Base-Backbone interact. energy: -0.676
local terms energy: -233.023895
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -45.947
flat angles C4'-P-C4' energy: -51.373
flat angles P-C4'-P energy: -33.150
tors. eta vs tors. theta energy: -66.063
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: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -600.085397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.085397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.085397 (E_RNA)
where:
Base-Base interactions energy: -387.951
where: short stacking energy: -191.854
Base-Backbone interact. energy: 0.713
local terms energy: -212.847854
where:
bonds (distance) C4'-P energy: -38.097
bonds (distance) P-C4' energy: -46.493
flat angles C4'-P-C4' energy: -44.515
flat angles P-C4'-P energy: -30.891
tors. eta vs tors. theta energy: -52.853
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: 5, replica: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -598.510394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.510394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.510394 (E_RNA)
where:
Base-Base interactions energy: -396.882
where: short stacking energy: -171.628
Base-Backbone interact. energy: -1.175
local terms energy: -200.452582
where:
bonds (distance) C4'-P energy: -36.282
bonds (distance) P-C4' energy: -39.497
flat angles C4'-P-C4' energy: -44.916
flat angles P-C4'-P energy: -35.258
tors. eta vs tors. theta energy: -44.500
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: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -586.965101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.965101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.965101 (E_RNA)
where:
Base-Base interactions energy: -393.268
where: short stacking energy: -173.187
Base-Backbone interact. energy: -1.428
local terms energy: -192.268804
where:
bonds (distance) C4'-P energy: -29.236
bonds (distance) P-C4' energy: -43.188
flat angles C4'-P-C4' energy: -43.159
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -48.358
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: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -519.741702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.741702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.741702 (E_RNA)
where:
Base-Base interactions energy: -345.458
where: short stacking energy: -164.529
Base-Backbone interact. energy: -0.851
local terms energy: -173.432714
where:
bonds (distance) C4'-P energy: -29.934
bonds (distance) P-C4' energy: -39.965
flat angles C4'-P-C4' energy: -42.708
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: -36.129
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: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -498.568460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.568460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.568460 (E_RNA)
where:
Base-Base interactions energy: -327.766
where: short stacking energy: -141.573
Base-Backbone interact. energy: -1.083
local terms energy: -169.720110
where:
bonds (distance) C4'-P energy: -34.970
bonds (distance) P-C4' energy: -32.370
flat angles C4'-P-C4' energy: -42.499
flat angles P-C4'-P energy: -25.916
tors. eta vs tors. theta energy: -33.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -219.563997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.563997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.563997 (E_RNA)
where:
Base-Base interactions energy: -74.799
where: short stacking energy: -69.590
Base-Backbone interact. energy: 0.548
local terms energy: -145.312338
where:
bonds (distance) C4'-P energy: -42.064
bonds (distance) P-C4' energy: -36.762
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: 3.196
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: 335
Temperature: 1.350000
Total energy: -195.206096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.206096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.206096 (E_RNA)
where:
Base-Base interactions energy: -58.339
where: short stacking energy: -36.461
Base-Backbone interact. energy: -1.391
local terms energy: -135.476680
where:
bonds (distance) C4'-P energy: -36.199
bonds (distance) P-C4' energy: -43.482
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -7.804
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: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -756.946898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.946898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.946898 (E_RNA)
where:
Base-Base interactions energy: -510.512
where: short stacking energy: -225.838
Base-Backbone interact. energy: -0.889
local terms energy: -245.546202
where:
bonds (distance) C4'-P energy: -44.199
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -49.716
flat angles P-C4'-P energy: -34.982
tors. eta vs tors. theta energy: -66.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -714.076179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.076179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.076179 (E_RNA)
where:
Base-Base interactions energy: -475.253
where: short stacking energy: -220.493
Base-Backbone interact. energy: -0.827
local terms energy: -237.997074
where:
bonds (distance) C4'-P energy: -43.497
bonds (distance) P-C4' energy: -46.229
flat angles C4'-P-C4' energy: -51.023
flat angles P-C4'-P energy: -32.464
tors. eta vs tors. theta energy: -64.784
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: 336
Temperature: 1.000000
Total energy: -702.083872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.083872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.083872 (E_RNA)
where:
Base-Base interactions energy: -471.366
where: short stacking energy: -208.325
Base-Backbone interact. energy: -0.276
local terms energy: -230.441699
where:
bonds (distance) C4'-P energy: -44.206
bonds (distance) P-C4' energy: -41.665
flat angles C4'-P-C4' energy: -46.427
flat angles P-C4'-P energy: -29.176
tors. eta vs tors. theta energy: -68.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -598.994571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.994571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.994571 (E_RNA)
where:
Base-Base interactions energy: -395.761
where: short stacking energy: -183.959
Base-Backbone interact. energy: -0.410
local terms energy: -202.823874
where:
bonds (distance) C4'-P energy: -42.859
bonds (distance) P-C4' energy: -42.809
flat angles C4'-P-C4' energy: -43.693
flat angles P-C4'-P energy: -33.846
tors. eta vs tors. theta energy: -39.616
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: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -586.786132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.786132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.786132 (E_RNA)
where:
Base-Base interactions energy: -377.192
where: short stacking energy: -167.504
Base-Backbone interact. energy: -0.323
local terms energy: -209.271274
where:
bonds (distance) C4'-P energy: -41.095
bonds (distance) P-C4' energy: -45.540
flat angles C4'-P-C4' energy: -40.551
flat angles P-C4'-P energy: -34.312
tors. eta vs tors. theta energy: -47.774
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: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -567.070910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.070910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.070910 (E_RNA)
where:
Base-Base interactions energy: -378.170
where: short stacking energy: -166.870
Base-Backbone interact. energy: -0.803
local terms energy: -188.097839
where:
bonds (distance) C4'-P energy: -33.333
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -44.272
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -49.829
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: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -528.009537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.009537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.009537 (E_RNA)
where:
Base-Base interactions energy: -341.023
where: short stacking energy: -163.109
Base-Backbone interact. energy: -0.070
local terms energy: -186.916462
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -46.651
flat angles C4'-P-C4' energy: -39.265
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: -45.784
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: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -434.770884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.770884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.770884 (E_RNA)
where:
Base-Base interactions energy: -268.530
where: short stacking energy: -139.614
Base-Backbone interact. energy: -0.982
local terms energy: -165.258876
where:
bonds (distance) C4'-P energy: -46.225
bonds (distance) P-C4' energy: -37.983
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -32.553
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: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -233.216520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.216520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.216520 (E_RNA)
where:
Base-Base interactions energy: -105.448
where: short stacking energy: -81.858
Base-Backbone interact. energy: 1.106
local terms energy: -128.873943
where:
bonds (distance) C4'-P energy: -34.547
bonds (distance) P-C4' energy: -37.166
flat angles C4'-P-C4' energy: -31.955
flat angles P-C4'-P energy: -19.973
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -200.980805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.980805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.980805 (E_RNA)
where:
Base-Base interactions energy: -77.161
where: short stacking energy: -75.671
Base-Backbone interact. energy: -0.964
local terms energy: -122.856059
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -37.437
flat angles C4'-P-C4' energy: -29.113
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -0.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -761.249354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.249354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.249354 (E_RNA)
where:
Base-Base interactions energy: -507.367
where: short stacking energy: -220.669
Base-Backbone interact. energy: -0.608
local terms energy: -253.274729
where:
bonds (distance) C4'-P energy: -47.471
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -53.144
flat angles P-C4'-P energy: -35.699
tors. eta vs tors. theta energy: -71.628
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: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -740.247393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.247393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.247393 (E_RNA)
where:
Base-Base interactions energy: -501.384
where: short stacking energy: -224.662
Base-Backbone interact. energy: -0.876
local terms energy: -237.986853
where:
bonds (distance) C4'-P energy: -42.106
bonds (distance) P-C4' energy: -41.025
flat angles C4'-P-C4' energy: -50.357
flat angles P-C4'-P energy: -35.669
tors. eta vs tors. theta energy: -68.829
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: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -713.843205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.843205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.843205 (E_RNA)
where:
Base-Base interactions energy: -497.871
where: short stacking energy: -206.369
Base-Backbone interact. energy: -1.237
local terms energy: -214.735277
where:
bonds (distance) C4'-P energy: -40.100
bonds (distance) P-C4' energy: -36.962
flat angles C4'-P-C4' energy: -41.779
flat angles P-C4'-P energy: -34.490
tors. eta vs tors. theta energy: -61.404
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: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -598.480855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.480855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.480855 (E_RNA)
where:
Base-Base interactions energy: -394.848
where: short stacking energy: -198.175
Base-Backbone interact. energy: -1.264
local terms energy: -202.368374
where:
bonds (distance) C4'-P energy: -36.088
bonds (distance) P-C4' energy: -40.923
flat angles C4'-P-C4' energy: -45.081
flat angles P-C4'-P energy: -20.125
tors. eta vs tors. theta energy: -60.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -577.892504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.892504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.892504 (E_RNA)
where:
Base-Base interactions energy: -388.009
where: short stacking energy: -170.173
Base-Backbone interact. energy: -1.437
local terms energy: -188.446390
where:
bonds (distance) C4'-P energy: -41.645
bonds (distance) P-C4' energy: -38.219
flat angles C4'-P-C4' energy: -35.272
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -42.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -557.077365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.077365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.077365 (E_RNA)
where:
Base-Base interactions energy: -371.527
where: short stacking energy: -173.168
Base-Backbone interact. energy: -0.692
local terms energy: -184.858690
where:
bonds (distance) C4'-P energy: -37.236
bonds (distance) P-C4' energy: -32.417
flat angles C4'-P-C4' energy: -38.530
flat angles P-C4'-P energy: -32.060
tors. eta vs tors. theta energy: -44.615
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: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -531.378278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.378278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.378278 (E_RNA)
where:
Base-Base interactions energy: -341.760
where: short stacking energy: -165.262
Base-Backbone interact. energy: -0.560
local terms energy: -189.059208
where:
bonds (distance) C4'-P energy: -35.878
bonds (distance) P-C4' energy: -37.487
flat angles C4'-P-C4' energy: -44.163
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -53.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -519.011822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.011822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.011822 (E_RNA)
where:
Base-Base interactions energy: -341.433
where: short stacking energy: -161.372
Base-Backbone interact. energy: -0.709
local terms energy: -176.869178
where:
bonds (distance) C4'-P energy: -33.564
bonds (distance) P-C4' energy: -37.909
flat angles C4'-P-C4' energy: -37.018
flat angles P-C4'-P energy: -31.083
tors. eta vs tors. theta energy: -37.296
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: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -223.467699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.467699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.467699 (E_RNA)
where:
Base-Base interactions energy: -72.658
where: short stacking energy: -56.892
Base-Backbone interact. energy: 1.015
local terms energy: -151.824729
where:
bonds (distance) C4'-P energy: -42.932
bonds (distance) P-C4' energy: -48.138
flat angles C4'-P-C4' energy: -34.910
flat angles P-C4'-P energy: -23.765
tors. eta vs tors. theta energy: -2.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -198.559197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.559197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.559197 (E_RNA)
where:
Base-Base interactions energy: -65.736
where: short stacking energy: -58.220
Base-Backbone interact. energy: 0.397
local terms energy: -133.219777
where:
bonds (distance) C4'-P energy: -34.581
bonds (distance) P-C4' energy: -44.005
flat angles C4'-P-C4' energy: -33.190
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: 1.154
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: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -731.419323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.419323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.419323 (E_RNA)
where:
Base-Base interactions energy: -498.733
where: short stacking energy: -229.494
Base-Backbone interact. energy: -1.885
local terms energy: -230.801238
where:
bonds (distance) C4'-P energy: -47.245
bonds (distance) P-C4' energy: -43.485
flat angles C4'-P-C4' energy: -47.530
flat angles P-C4'-P energy: -28.865
tors. eta vs tors. theta energy: -63.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -739.607587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.607587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.607587 (E_RNA)
where:
Base-Base interactions energy: -498.098
where: short stacking energy: -220.620
Base-Backbone interact. energy: -0.270
local terms energy: -241.239287
where:
bonds (distance) C4'-P energy: -49.155
bonds (distance) P-C4' energy: -36.224
flat angles C4'-P-C4' energy: -54.222
flat angles P-C4'-P energy: -33.847
tors. eta vs tors. theta energy: -67.791
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: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -713.184903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.184903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.184903 (E_RNA)
where:
Base-Base interactions energy: -490.593
where: short stacking energy: -207.513
Base-Backbone interact. energy: -0.522
local terms energy: -222.070112
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -44.339
flat angles C4'-P-C4' energy: -45.247
flat angles P-C4'-P energy: -33.440
tors. eta vs tors. theta energy: -56.240
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: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -595.966981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.966981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.966981 (E_RNA)
where:
Base-Base interactions energy: -393.936
where: short stacking energy: -178.051
Base-Backbone interact. energy: -1.656
local terms energy: -200.375100
where:
bonds (distance) C4'-P energy: -32.789
bonds (distance) P-C4' energy: -44.794
flat angles C4'-P-C4' energy: -45.557
flat angles P-C4'-P energy: -32.705
tors. eta vs tors. theta energy: -44.529
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: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -606.044310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.044310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.044310 (E_RNA)
where:
Base-Base interactions energy: -398.666
where: short stacking energy: -181.689
Base-Backbone interact. energy: -1.514
local terms energy: -205.863403
where:
bonds (distance) C4'-P energy: -40.632
bonds (distance) P-C4' energy: -34.501
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: -48.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -560.464481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.464481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.464481 (E_RNA)
where:
Base-Base interactions energy: -362.218
where: short stacking energy: -170.203
Base-Backbone interact. energy: 0.469
local terms energy: -198.715791
where:
bonds (distance) C4'-P energy: -36.556
bonds (distance) P-C4' energy: -48.056
flat angles C4'-P-C4' energy: -45.204
flat angles P-C4'-P energy: -28.229
tors. eta vs tors. theta energy: -40.670
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: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -528.429521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.429521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.429521 (E_RNA)
where:
Base-Base interactions energy: -352.183
where: short stacking energy: -161.004
Base-Backbone interact. energy: 1.387
local terms energy: -177.633868
where:
bonds (distance) C4'-P energy: -41.035
bonds (distance) P-C4' energy: -48.084
flat angles C4'-P-C4' energy: -25.796
flat angles P-C4'-P energy: -23.865
tors. eta vs tors. theta energy: -38.853
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: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -520.691178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.691178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.691178 (E_RNA)
where:
Base-Base interactions energy: -335.980
where: short stacking energy: -161.327
Base-Backbone interact. energy: -0.007
local terms energy: -184.704512
where:
bonds (distance) C4'-P energy: -34.789
bonds (distance) P-C4' energy: -41.964
flat angles C4'-P-C4' energy: -40.795
flat angles P-C4'-P energy: -26.379
tors. eta vs tors. theta energy: -40.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -209.175646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.175646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.175646 (E_RNA)
where:
Base-Base interactions energy: -48.928
where: short stacking energy: -45.639
Base-Backbone interact. energy: -0.366
local terms energy: -159.881546
where:
bonds (distance) C4'-P energy: -38.373
bonds (distance) P-C4' energy: -48.240
flat angles C4'-P-C4' energy: -42.819
flat angles P-C4'-P energy: -32.584
tors. eta vs tors. theta energy: 2.135
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: 10, replica: 9
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -206.822597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.822597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.822597 (E_RNA)
where:
Base-Base interactions energy: -73.890
where: short stacking energy: -57.281
Base-Backbone interact. energy: -1.317
local terms energy: -131.614885
where:
bonds (distance) C4'-P energy: -40.630
bonds (distance) P-C4' energy: -40.530
flat angles C4'-P-C4' energy: -29.504
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -732.873034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.873034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.873034 (E_RNA)
where:
Base-Base interactions energy: -500.798
where: short stacking energy: -227.968
Base-Backbone interact. energy: -0.240
local terms energy: -231.835315
where:
bonds (distance) C4'-P energy: -41.298
bonds (distance) P-C4' energy: -44.874
flat angles C4'-P-C4' energy: -43.842
flat angles P-C4'-P energy: -34.381
tors. eta vs tors. theta energy: -67.440
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: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -752.462738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.462738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.462738 (E_RNA)
where:
Base-Base interactions energy: -505.603
where: short stacking energy: -209.990
Base-Backbone interact. energy: -0.784
local terms energy: -246.076355
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -51.887
flat angles C4'-P-C4' energy: -52.062
flat angles P-C4'-P energy: -35.207
tors. eta vs tors. theta energy: -60.237
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: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -710.011165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.011165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.011165 (E_RNA)
where:
Base-Base interactions energy: -478.341
where: short stacking energy: -210.376
Base-Backbone interact. energy: -1.994
local terms energy: -229.676669
where:
bonds (distance) C4'-P energy: -41.575
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -49.514
flat angles P-C4'-P energy: -31.637
tors. eta vs tors. theta energy: -59.860
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: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -633.297982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.297982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.297982 (E_RNA)
where:
Base-Base interactions energy: -422.747
where: short stacking energy: -187.390
Base-Backbone interact. energy: 0.193
local terms energy: -210.744346
where:
bonds (distance) C4'-P energy: -39.603
bonds (distance) P-C4' energy: -48.155
flat angles C4'-P-C4' energy: -46.363
flat angles P-C4'-P energy: -28.138
tors. eta vs tors. theta energy: -48.486
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: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -591.015954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.015954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.015954 (E_RNA)
where:
Base-Base interactions energy: -399.833
where: short stacking energy: -182.160
Base-Backbone interact. energy: -0.800
local terms energy: -190.382434
where:
bonds (distance) C4'-P energy: -34.294
bonds (distance) P-C4' energy: -43.692
flat angles C4'-P-C4' energy: -38.809
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -51.330
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: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -522.467178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.467178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.467178 (E_RNA)
where:
Base-Base interactions energy: -354.594
where: short stacking energy: -148.183
Base-Backbone interact. energy: -0.331
local terms energy: -167.541962
where:
bonds (distance) C4'-P energy: -41.129
bonds (distance) P-C4' energy: -34.154
flat angles C4'-P-C4' energy: -37.408
flat angles P-C4'-P energy: -27.619
tors. eta vs tors. theta energy: -27.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -549.969990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.969990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.969990 (E_RNA)
where:
Base-Base interactions energy: -351.192
where: short stacking energy: -170.537
Base-Backbone interact. energy: 0.341
local terms energy: -199.119130
where:
bonds (distance) C4'-P energy: -32.546
bonds (distance) P-C4' energy: -37.040
flat angles C4'-P-C4' energy: -48.670
flat angles P-C4'-P energy: -27.084
tors. eta vs tors. theta energy: -53.779
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: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -491.618565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.618565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.618565 (E_RNA)
where:
Base-Base interactions energy: -326.859
where: short stacking energy: -153.691
Base-Backbone interact. energy: -1.345
local terms energy: -163.414759
where:
bonds (distance) C4'-P energy: -31.039
bonds (distance) P-C4' energy: -35.328
flat angles C4'-P-C4' energy: -38.450
flat angles P-C4'-P energy: -27.040
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: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -216.653114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.653114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.653114 (E_RNA)
where:
Base-Base interactions energy: -86.741
where: short stacking energy: -74.413
Base-Backbone interact. energy: 1.255
local terms energy: -131.167675
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -38.511
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -4.719
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: 10, replica: 9
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -185.608751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.608751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.608751 (E_RNA)
where:
Base-Base interactions energy: -63.544
where: short stacking energy: -50.867
Base-Backbone interact. energy: -1.468
local terms energy: -120.596519
where:
bonds (distance) C4'-P energy: -31.107
bonds (distance) P-C4' energy: -47.405
flat angles C4'-P-C4' energy: -28.190
flat angles P-C4'-P energy: -22.006
tors. eta vs tors. theta energy: 8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -754.109853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.109853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.109853 (E_RNA)
where:
Base-Base interactions energy: -515.094
where: short stacking energy: -232.805
Base-Backbone interact. energy: -0.120
local terms energy: -238.895900
where:
bonds (distance) C4'-P energy: -43.163
bonds (distance) P-C4' energy: -43.144
flat angles C4'-P-C4' energy: -44.825
flat angles P-C4'-P energy: -37.907
tors. eta vs tors. theta energy: -69.856
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: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -745.984239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.984239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.984239 (E_RNA)
where:
Base-Base interactions energy: -513.932
where: short stacking energy: -224.133
Base-Backbone interact. energy: -0.549
local terms energy: -231.503548
where:
bonds (distance) C4'-P energy: -41.069
bonds (distance) P-C4' energy: -42.252
flat angles C4'-P-C4' energy: -47.255
flat angles P-C4'-P energy: -37.483
tors. eta vs tors. theta energy: -63.443
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: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -713.740878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.740878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.740878 (E_RNA)
where:
Base-Base interactions energy: -482.114
where: short stacking energy: -218.838
Base-Backbone interact. energy: -0.643
local terms energy: -230.984292
where:
bonds (distance) C4'-P energy: -46.565
bonds (distance) P-C4' energy: -40.894
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -62.070
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: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -620.637765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.637765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.637765 (E_RNA)
where:
Base-Base interactions energy: -410.199
where: short stacking energy: -196.038
Base-Backbone interact. energy: -0.455
local terms energy: -209.983533
where:
bonds (distance) C4'-P energy: -43.206
bonds (distance) P-C4' energy: -43.114
flat angles C4'-P-C4' energy: -47.112
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: -52.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -572.108980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.108980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.108980 (E_RNA)
where:
Base-Base interactions energy: -373.759
where: short stacking energy: -172.825
Base-Backbone interact. energy: -0.857
local terms energy: -197.493203
where:
bonds (distance) C4'-P energy: -40.257
bonds (distance) P-C4' energy: -38.057
flat angles C4'-P-C4' energy: -46.915
flat angles P-C4'-P energy: -32.659
tors. eta vs tors. theta energy: -39.605
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: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -530.007983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.007983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.007983 (E_RNA)
where:
Base-Base interactions energy: -359.083
where: short stacking energy: -148.232
Base-Backbone interact. energy: 0.147
local terms energy: -171.071963
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -34.569
flat angles C4'-P-C4' energy: -40.494
flat angles P-C4'-P energy: -18.252
tors. eta vs tors. theta energy: -33.496
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: 8
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -516.045122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.045122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.045122 (E_RNA)
where:
Base-Base interactions energy: -328.410
where: short stacking energy: -148.342
Base-Backbone interact. energy: 1.165
local terms energy: -188.799869
where:
bonds (distance) C4'-P energy: -43.967
bonds (distance) P-C4' energy: -42.156
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -23.285
tors. eta vs tors. theta energy: -44.380
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: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -510.077778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.077778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.077778 (E_RNA)
where:
Base-Base interactions energy: -327.643
where: short stacking energy: -157.667
Base-Backbone interact. energy: -1.445
local terms energy: -180.989710
where:
bonds (distance) C4'-P energy: -40.574
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -33.441
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -44.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -219.454174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.454174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.454174 (E_RNA)
where:
Base-Base interactions energy: -100.468
where: short stacking energy: -56.478
Base-Backbone interact. energy: -0.939
local terms energy: -118.047310
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -37.117
flat angles C4'-P-C4' energy: -31.824
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: 1.696
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: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -192.823353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.823353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.823353 (E_RNA)
where:
Base-Base interactions energy: -77.517
where: short stacking energy: -56.398
Base-Backbone interact. energy: 0.046
local terms energy: -115.352424
where:
bonds (distance) C4'-P energy: -35.958
bonds (distance) P-C4' energy: -36.646
flat angles C4'-P-C4' energy: -26.721
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: 3.810
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: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -751.557547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.557547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.557547 (E_RNA)
where:
Base-Base interactions energy: -508.795
where: short stacking energy: -238.833
Base-Backbone interact. energy: -0.779
local terms energy: -241.983850
where:
bonds (distance) C4'-P energy: -42.933
bonds (distance) P-C4' energy: -44.284
flat angles C4'-P-C4' energy: -50.888
flat angles P-C4'-P energy: -32.848
tors. eta vs tors. theta energy: -71.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -749.313195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.313195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.313195 (E_RNA)
where:
Base-Base interactions energy: -511.797
where: short stacking energy: -221.659
Base-Backbone interact. energy: -0.778
local terms energy: -236.738471
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -52.849
flat angles P-C4'-P energy: -32.422
tors. eta vs tors. theta energy: -66.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -706.280151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.280151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.280151 (E_RNA)
where:
Base-Base interactions energy: -486.852
where: short stacking energy: -218.023
Base-Backbone interact. energy: -0.202
local terms energy: -219.226340
where:
bonds (distance) C4'-P energy: -33.686
bonds (distance) P-C4' energy: -46.434
flat angles C4'-P-C4' energy: -46.157
flat angles P-C4'-P energy: -28.930
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: 4, replica: 1
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -653.129053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.129053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.129053 (E_RNA)
where:
Base-Base interactions energy: -435.294
where: short stacking energy: -211.041
Base-Backbone interact. energy: -1.062
local terms energy: -216.773269
where:
bonds (distance) C4'-P energy: -36.366
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -33.774
tors. eta vs tors. theta energy: -61.011
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: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -575.685392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.685392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.685392 (E_RNA)
where:
Base-Base interactions energy: -374.745
where: short stacking energy: -174.385
Base-Backbone interact. energy: -3.153
local terms energy: -197.787456
where:
bonds (distance) C4'-P energy: -31.970
bonds (distance) P-C4' energy: -41.112
flat angles C4'-P-C4' energy: -47.533
flat angles P-C4'-P energy: -29.598
tors. eta vs tors. theta energy: -47.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -529.870537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.870537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.870537 (E_RNA)
where:
Base-Base interactions energy: -338.301
where: short stacking energy: -155.900
Base-Backbone interact. energy: -0.536
local terms energy: -191.033738
where:
bonds (distance) C4'-P energy: -44.075
bonds (distance) P-C4' energy: -30.234
flat angles C4'-P-C4' energy: -45.190
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: -46.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -514.314227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.314227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.314227 (E_RNA)
where:
Base-Base interactions energy: -340.252
where: short stacking energy: -155.179
Base-Backbone interact. energy: 0.375
local terms energy: -174.438115
where:
bonds (distance) C4'-P energy: -30.234
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -42.517
flat angles P-C4'-P energy: -23.599
tors. eta vs tors. theta energy: -36.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -491.586354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.586354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.586354 (E_RNA)
where:
Base-Base interactions energy: -324.785
where: short stacking energy: -153.776
Base-Backbone interact. energy: -0.534
local terms energy: -166.266855
where:
bonds (distance) C4'-P energy: -32.375
bonds (distance) P-C4' energy: -37.505
flat angles C4'-P-C4' energy: -37.775
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -34.110
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: 10
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -297.383131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.383131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.383131 (E_RNA)
where:
Base-Base interactions energy: -172.190
where: short stacking energy: -79.960
Base-Backbone interact. energy: -0.835
local terms energy: -124.358105
where:
bonds (distance) C4'-P energy: -28.221
bonds (distance) P-C4' energy: -40.427
flat angles C4'-P-C4' energy: -35.905
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -4.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -187.018144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.018144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.018144 (E_RNA)
where:
Base-Base interactions energy: -87.250
where: short stacking energy: -53.597
Base-Backbone interact. energy: -0.716
local terms energy: -99.052404
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -35.842
flat angles C4'-P-C4' energy: -28.234
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: 0.553
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: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -747.369166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.369166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.369166 (E_RNA)
where:
Base-Base interactions energy: -526.130
where: short stacking energy: -217.345
Base-Backbone interact. energy: -1.164
local terms energy: -220.075201
where:
bonds (distance) C4'-P energy: -32.254
bonds (distance) P-C4' energy: -43.271
flat angles C4'-P-C4' energy: -47.919
flat angles P-C4'-P energy: -31.685
tors. eta vs tors. theta energy: -64.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -720.196513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.196513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.196513 (E_RNA)
where:
Base-Base interactions energy: -489.741
where: short stacking energy: -212.971
Base-Backbone interact. energy: -2.795
local terms energy: -227.660887
where:
bonds (distance) C4'-P energy: -43.361
bonds (distance) P-C4' energy: -40.976
flat angles C4'-P-C4' energy: -43.878
flat angles P-C4'-P energy: -36.277
tors. eta vs tors. theta energy: -63.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -700.783762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.783762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.783762 (E_RNA)
where:
Base-Base interactions energy: -479.096
where: short stacking energy: -208.670
Base-Backbone interact. energy: -0.470
local terms energy: -221.217958
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -42.381
flat angles C4'-P-C4' energy: -44.105
flat angles P-C4'-P energy: -35.152
tors. eta vs tors. theta energy: -53.329
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: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -650.803784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.803784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.803784 (E_RNA)
where:
Base-Base interactions energy: -437.207
where: short stacking energy: -207.148
Base-Backbone interact. energy: 0.269
local terms energy: -213.865862
where:
bonds (distance) C4'-P energy: -38.751
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -43.832
flat angles P-C4'-P energy: -31.919
tors. eta vs tors. theta energy: -58.389
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: 3
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -576.042983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.042983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.042983 (E_RNA)
where:
Base-Base interactions energy: -367.686
where: short stacking energy: -177.053
Base-Backbone interact. energy: -1.032
local terms energy: -207.325269
where:
bonds (distance) C4'-P energy: -40.298
bonds (distance) P-C4' energy: -45.896
flat angles C4'-P-C4' energy: -44.119
flat angles P-C4'-P energy: -27.930
tors. eta vs tors. theta energy: -49.083
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: 6, replica: 8
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -532.830020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.830020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.830020 (E_RNA)
where:
Base-Base interactions energy: -362.544
where: short stacking energy: -171.259
Base-Backbone interact. energy: -0.343
local terms energy: -169.943638
where:
bonds (distance) C4'-P energy: -39.007
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -37.000
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -50.800
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: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -534.967571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.967571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.967571 (E_RNA)
where:
Base-Base interactions energy: -353.760
where: short stacking energy: -148.801
Base-Backbone interact. energy: 2.535
local terms energy: -183.742085
where:
bonds (distance) C4'-P energy: -39.575
bonds (distance) P-C4' energy: -45.441
flat angles C4'-P-C4' energy: -39.727
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -32.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -510.667590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.667590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.667590 (E_RNA)
where:
Base-Base interactions energy: -320.925
where: short stacking energy: -167.190
Base-Backbone interact. energy: 0.420
local terms energy: -190.161858
where:
bonds (distance) C4'-P energy: -32.018
bonds (distance) P-C4' energy: -39.732
flat angles C4'-P-C4' energy: -40.254
flat angles P-C4'-P energy: -32.595
tors. eta vs tors. theta energy: -45.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -289.374373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.374373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.374373 (E_RNA)
where:
Base-Base interactions energy: -155.177
where: short stacking energy: -97.700
Base-Backbone interact. energy: -0.903
local terms energy: -133.294144
where:
bonds (distance) C4'-P energy: -27.895
bonds (distance) P-C4' energy: -38.359
flat angles C4'-P-C4' energy: -35.604
flat angles P-C4'-P energy: -18.751
tors. eta vs tors. theta energy: -12.685
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: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -195.998017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.998017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.998017 (E_RNA)
where:
Base-Base interactions energy: -64.301
where: short stacking energy: -48.373
Base-Backbone interact. energy: -0.205
local terms energy: -131.491897
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -35.341
flat angles C4'-P-C4' energy: -31.296
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: 0.194
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: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -772.561072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.561072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.561072 (E_RNA)
where:
Base-Base interactions energy: -524.672
where: short stacking energy: -215.576
Base-Backbone interact. energy: -0.300
local terms energy: -247.589624
where:
bonds (distance) C4'-P energy: -46.500
bonds (distance) P-C4' energy: -50.645
flat angles C4'-P-C4' energy: -50.128
flat angles P-C4'-P energy: -36.879
tors. eta vs tors. theta energy: -63.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -719.347116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.347116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.347116 (E_RNA)
where:
Base-Base interactions energy: -498.759
where: short stacking energy: -217.844
Base-Backbone interact. energy: -0.266
local terms energy: -220.322818
where:
bonds (distance) C4'-P energy: -43.926
bonds (distance) P-C4' energy: -36.370
flat angles C4'-P-C4' energy: -48.573
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -59.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -705.218345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.218345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.218345 (E_RNA)
where:
Base-Base interactions energy: -492.593
where: short stacking energy: -220.568
Base-Backbone interact. energy: 1.928
local terms energy: -214.553358
where:
bonds (distance) C4'-P energy: -40.188
bonds (distance) P-C4' energy: -41.408
flat angles C4'-P-C4' energy: -41.880
flat angles P-C4'-P energy: -29.618
tors. eta vs tors. theta energy: -61.460
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: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -627.948857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.948857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.948857 (E_RNA)
where:
Base-Base interactions energy: -416.174
where: short stacking energy: -193.254
Base-Backbone interact. energy: -0.394
local terms energy: -211.380682
where:
bonds (distance) C4'-P energy: -32.940
bonds (distance) P-C4' energy: -33.635
flat angles C4'-P-C4' energy: -52.771
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -61.277
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: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -594.206088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.206088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.206088 (E_RNA)
where:
Base-Base interactions energy: -386.750
where: short stacking energy: -189.676
Base-Backbone interact. energy: -1.047
local terms energy: -206.409208
where:
bonds (distance) C4'-P energy: -45.260
bonds (distance) P-C4' energy: -35.891
flat angles C4'-P-C4' energy: -44.226
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: -49.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -541.715523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.715523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.715523 (E_RNA)
where:
Base-Base interactions energy: -364.880
where: short stacking energy: -154.529
Base-Backbone interact. energy: -1.921
local terms energy: -174.914166
where:
bonds (distance) C4'-P energy: -41.464
bonds (distance) P-C4' energy: -40.126
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -27.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -472.275024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.275024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.275024 (E_RNA)
where:
Base-Base interactions energy: -304.379
where: short stacking energy: -139.960
Base-Backbone interact. energy: 0.342
local terms energy: -168.237334
where:
bonds (distance) C4'-P energy: -37.363
bonds (distance) P-C4' energy: -43.778
flat angles C4'-P-C4' energy: -37.599
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -27.353
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: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -501.481433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.481433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.481433 (E_RNA)
where:
Base-Base interactions energy: -321.258
where: short stacking energy: -146.380
Base-Backbone interact. energy: 0.042
local terms energy: -180.265420
where:
bonds (distance) C4'-P energy: -35.201
bonds (distance) P-C4' energy: -36.640
flat angles C4'-P-C4' energy: -44.067
flat angles P-C4'-P energy: -29.203
tors. eta vs tors. theta energy: -35.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -291.986025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.986025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.986025 (E_RNA)
where:
Base-Base interactions energy: -160.889
where: short stacking energy: -99.506
Base-Backbone interact. energy: -0.532
local terms energy: -130.564883
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -33.743
flat angles C4'-P-C4' energy: -34.413
flat angles P-C4'-P energy: -18.887
tors. eta vs tors. theta energy: -9.891
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: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -192.333262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.333262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.333262 (E_RNA)
where:
Base-Base interactions energy: -75.181
where: short stacking energy: -63.389
Base-Backbone interact. energy: -1.215
local terms energy: -115.936646
where:
bonds (distance) C4'-P energy: -32.316
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -34.757
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: 5.934
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: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -751.495553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.495553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.495553 (E_RNA)
where:
Base-Base interactions energy: -523.147
where: short stacking energy: -222.319
Base-Backbone interact. energy: -1.047
local terms energy: -227.301446
where:
bonds (distance) C4'-P energy: -45.482
bonds (distance) P-C4' energy: -38.685
flat angles C4'-P-C4' energy: -48.234
flat angles P-C4'-P energy: -27.593
tors. eta vs tors. theta energy: -67.307
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: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -731.707812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.707812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.707812 (E_RNA)
where:
Base-Base interactions energy: -501.319
where: short stacking energy: -231.288
Base-Backbone interact. energy: -1.322
local terms energy: -229.067143
where:
bonds (distance) C4'-P energy: -42.076
bonds (distance) P-C4' energy: -46.178
flat angles C4'-P-C4' energy: -44.259
flat angles P-C4'-P energy: -37.728
tors. eta vs tors. theta energy: -58.825
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: 3, replica: 5
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -709.447450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.447450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.447450 (E_RNA)
where:
Base-Base interactions energy: -480.203
where: short stacking energy: -213.362
Base-Backbone interact. energy: -0.899
local terms energy: -228.345764
where:
bonds (distance) C4'-P energy: -40.026
bonds (distance) P-C4' energy: -40.002
flat angles C4'-P-C4' energy: -54.671
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -67.600
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: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -644.898064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.898064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.898064 (E_RNA)
where:
Base-Base interactions energy: -425.032
where: short stacking energy: -206.562
Base-Backbone interact. energy: 1.569
local terms energy: -221.435490
where:
bonds (distance) C4'-P energy: -34.444
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -50.723
flat angles P-C4'-P energy: -34.047
tors. eta vs tors. theta energy: -56.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -613.006156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.006156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.006156 (E_RNA)
where:
Base-Base interactions energy: -408.239
where: short stacking energy: -192.407
Base-Backbone interact. energy: -1.315
local terms energy: -203.451513
where:
bonds (distance) C4'-P energy: -45.256
bonds (distance) P-C4' energy: -37.525
flat angles C4'-P-C4' energy: -42.394
flat angles P-C4'-P energy: -27.775
tors. eta vs tors. theta energy: -50.502
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: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -548.715404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.715404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.715404 (E_RNA)
where:
Base-Base interactions energy: -372.965
where: short stacking energy: -173.156
Base-Backbone interact. energy: -0.806
local terms energy: -174.943799
where:
bonds (distance) C4'-P energy: -33.576
bonds (distance) P-C4' energy: -39.176
flat angles C4'-P-C4' energy: -40.416
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -44.096
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: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -525.420250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.420250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.420250 (E_RNA)
where:
Base-Base interactions energy: -335.531
where: short stacking energy: -157.911
Base-Backbone interact. energy: -0.867
local terms energy: -189.022379
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -42.625
flat angles C4'-P-C4' energy: -43.301
flat angles P-C4'-P energy: -28.434
tors. eta vs tors. theta energy: -42.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -425.728076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.728076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.728076 (E_RNA)
where:
Base-Base interactions energy: -285.591
where: short stacking energy: -126.848
Base-Backbone interact. energy: 5.348
local terms energy: -145.484500
where:
bonds (distance) C4'-P energy: -38.874
bonds (distance) P-C4' energy: -32.161
flat angles C4'-P-C4' energy: -37.413
flat angles P-C4'-P energy: -18.213
tors. eta vs tors. theta energy: -18.824
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: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -293.468388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.468388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.468388 (E_RNA)
where:
Base-Base interactions energy: -139.535
where: short stacking energy: -75.957
Base-Backbone interact. energy: 1.633
local terms energy: -155.566373
where:
bonds (distance) C4'-P energy: -42.994
bonds (distance) P-C4' energy: -44.477
flat angles C4'-P-C4' energy: -40.428
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -3.772
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: 10, replica: 9
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -176.936468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.936468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.936468 (E_RNA)
where:
Base-Base interactions energy: -63.339
where: short stacking energy: -52.819
Base-Backbone interact. energy: 3.719
local terms energy: -117.316228
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -43.695
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -22.555
tors. eta vs tors. theta energy: 9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -745.445608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.445608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.445608 (E_RNA)
where:
Base-Base interactions energy: -516.414
where: short stacking energy: -217.639
Base-Backbone interact. energy: -0.881
local terms energy: -228.150691
where:
bonds (distance) C4'-P energy: -42.824
bonds (distance) P-C4' energy: -34.996
flat angles C4'-P-C4' energy: -46.868
flat angles P-C4'-P energy: -40.086
tors. eta vs tors. theta energy: -63.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -737.441356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.441356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.441356 (E_RNA)
where:
Base-Base interactions energy: -499.958
where: short stacking energy: -232.807
Base-Backbone interact. energy: -0.858
local terms energy: -236.625365
where:
bonds (distance) C4'-P energy: -42.246
bonds (distance) P-C4' energy: -45.806
flat angles C4'-P-C4' energy: -49.991
flat angles P-C4'-P energy: -29.476
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: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -707.488013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.488013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.488013 (E_RNA)
where:
Base-Base interactions energy: -477.130
where: short stacking energy: -219.052
Base-Backbone interact. energy: 0.840
local terms energy: -231.197791
where:
bonds (distance) C4'-P energy: -42.652
bonds (distance) P-C4' energy: -39.962
flat angles C4'-P-C4' energy: -50.925
flat angles P-C4'-P energy: -38.213
tors. eta vs tors. theta energy: -59.445
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: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -610.686282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.686282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.686282 (E_RNA)
where:
Base-Base interactions energy: -412.259
where: short stacking energy: -181.651
Base-Backbone interact. energy: -3.345
local terms energy: -195.082658
where:
bonds (distance) C4'-P energy: -37.347
bonds (distance) P-C4' energy: -37.624
flat angles C4'-P-C4' energy: -41.355
flat angles P-C4'-P energy: -35.118
tors. eta vs tors. theta energy: -43.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -619.946513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.946513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.946513 (E_RNA)
where:
Base-Base interactions energy: -415.325
where: short stacking energy: -191.032
Base-Backbone interact. energy: 0.151
local terms energy: -204.772781
where:
bonds (distance) C4'-P energy: -37.031
bonds (distance) P-C4' energy: -37.727
flat angles C4'-P-C4' energy: -44.023
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -52.827
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: 6, replica: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -537.157927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.157927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.157927 (E_RNA)
where:
Base-Base interactions energy: -347.976
where: short stacking energy: -154.582
Base-Backbone interact. energy: -1.124
local terms energy: -188.058243
where:
bonds (distance) C4'-P energy: -41.507
bonds (distance) P-C4' energy: -38.682
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -28.816
tors. eta vs tors. theta energy: -40.312
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: 345
Temperature: 1.200000
Total energy: -511.767768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.767768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.767768 (E_RNA)
where:
Base-Base interactions energy: -338.936
where: short stacking energy: -161.679
Base-Backbone interact. energy: -0.588
local terms energy: -172.243710
where:
bonds (distance) C4'-P energy: -22.837
bonds (distance) P-C4' energy: -47.479
flat angles C4'-P-C4' energy: -42.075
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -35.256
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: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -417.654743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.654743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.654743 (E_RNA)
where:
Base-Base interactions energy: -259.588
where: short stacking energy: -126.299
Base-Backbone interact. energy: -0.290
local terms energy: -157.777177
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -34.174
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -31.824
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: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -315.992458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.992458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.992458 (E_RNA)
where:
Base-Base interactions energy: -169.395
where: short stacking energy: -98.535
Base-Backbone interact. energy: 2.571
local terms energy: -149.169170
where:
bonds (distance) C4'-P energy: -41.318
bonds (distance) P-C4' energy: -34.978
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -24.658
tors. eta vs tors. theta energy: -14.022
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: 10, replica: 9
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -200.326536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.326536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.326536 (E_RNA)
where:
Base-Base interactions energy: -77.687
where: short stacking energy: -60.836
Base-Backbone interact. energy: 0.274
local terms energy: -122.913582
where:
bonds (distance) C4'-P energy: -35.756
bonds (distance) P-C4' energy: -33.445
flat angles C4'-P-C4' energy: -30.399
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -752.765540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.765540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.765540 (E_RNA)
where:
Base-Base interactions energy: -516.676
where: short stacking energy: -229.553
Base-Backbone interact. energy: -0.061
local terms energy: -236.029253
where:
bonds (distance) C4'-P energy: -41.445
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -50.795
flat angles P-C4'-P energy: -28.618
tors. eta vs tors. theta energy: -73.242
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: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -736.043277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.043277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.043277 (E_RNA)
where:
Base-Base interactions energy: -497.196
where: short stacking energy: -204.751
Base-Backbone interact. energy: -0.396
local terms energy: -238.451274
where:
bonds (distance) C4'-P energy: -45.296
bonds (distance) P-C4' energy: -43.512
flat angles C4'-P-C4' energy: -49.641
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -63.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -696.716320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.716320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.716320 (E_RNA)
where:
Base-Base interactions energy: -480.766
where: short stacking energy: -213.695
Base-Backbone interact. energy: -0.802
local terms energy: -215.148477
where:
bonds (distance) C4'-P energy: -41.795
bonds (distance) P-C4' energy: -37.564
flat angles C4'-P-C4' energy: -41.098
flat angles P-C4'-P energy: -36.811
tors. eta vs tors. theta energy: -57.881
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: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -608.962069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.962069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.962069 (E_RNA)
where:
Base-Base interactions energy: -402.909
where: short stacking energy: -189.737
Base-Backbone interact. energy: -1.732
local terms energy: -204.321246
where:
bonds (distance) C4'-P energy: -36.774
bonds (distance) P-C4' energy: -39.895
flat angles C4'-P-C4' energy: -46.954
flat angles P-C4'-P energy: -35.610
tors. eta vs tors. theta energy: -45.088
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: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -631.984559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.984559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.984559 (E_RNA)
where:
Base-Base interactions energy: -426.571
where: short stacking energy: -203.423
Base-Backbone interact. energy: -0.844
local terms energy: -204.569572
where:
bonds (distance) C4'-P energy: -39.844
bonds (distance) P-C4' energy: -35.461
flat angles C4'-P-C4' energy: -34.647
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -61.185
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: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -550.632299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.632299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.632299 (E_RNA)
where:
Base-Base interactions energy: -363.558
where: short stacking energy: -154.983
Base-Backbone interact. energy: -0.189
local terms energy: -186.884483
where:
bonds (distance) C4'-P energy: -35.120
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -43.228
flat angles P-C4'-P energy: -31.035
tors. eta vs tors. theta energy: -36.711
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: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -531.736157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.736157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.736157 (E_RNA)
where:
Base-Base interactions energy: -360.913
where: short stacking energy: -166.350
Base-Backbone interact. energy: -1.219
local terms energy: -169.603727
where:
bonds (distance) C4'-P energy: -29.605
bonds (distance) P-C4' energy: -36.035
flat angles C4'-P-C4' energy: -36.214
flat angles P-C4'-P energy: -27.596
tors. eta vs tors. theta energy: -40.154
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: 8, replica: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -436.523323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.523323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.523323 (E_RNA)
where:
Base-Base interactions energy: -262.880
where: short stacking energy: -127.491
Base-Backbone interact. energy: 0.248
local terms energy: -173.891151
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -37.924
flat angles C4'-P-C4' energy: -38.421
flat angles P-C4'-P energy: -36.045
tors. eta vs tors. theta energy: -25.591
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: 9, replica: 10
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -317.338595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.338595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.338595 (E_RNA)
where:
Base-Base interactions energy: -180.479
where: short stacking energy: -91.844
Base-Backbone interact. energy: 0.701
local terms energy: -137.561426
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -39.361
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -14.698
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: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -201.317292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.317292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.317292 (E_RNA)
where:
Base-Base interactions energy: -77.406
where: short stacking energy: -67.104
Base-Backbone interact. energy: -0.705
local terms energy: -123.206509
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -36.528
flat angles C4'-P-C4' energy: -33.801
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -3.446
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: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -757.041406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.041406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.041406 (E_RNA)
where:
Base-Base interactions energy: -502.540
where: short stacking energy: -226.600
Base-Backbone interact. energy: -0.498
local terms energy: -254.004329
where:
bonds (distance) C4'-P energy: -48.165
bonds (distance) P-C4' energy: -49.380
flat angles C4'-P-C4' energy: -52.421
flat angles P-C4'-P energy: -36.188
tors. eta vs tors. theta energy: -67.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -715.926576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.926576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.926576 (E_RNA)
where:
Base-Base interactions energy: -504.751
where: short stacking energy: -220.912
Base-Backbone interact. energy: -0.882
local terms energy: -210.293536
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -38.794
flat angles C4'-P-C4' energy: -45.150
flat angles P-C4'-P energy: -31.461
tors. eta vs tors. theta energy: -60.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -694.511142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.511142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.511142 (E_RNA)
where:
Base-Base interactions energy: -485.012
where: short stacking energy: -197.954
Base-Backbone interact. energy: -0.462
local terms energy: -209.037494
where:
bonds (distance) C4'-P energy: -41.522
bonds (distance) P-C4' energy: -44.884
flat angles C4'-P-C4' energy: -44.065
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -57.648
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: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -662.779253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.779253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.779253 (E_RNA)
where:
Base-Base interactions energy: -444.386
where: short stacking energy: -201.194
Base-Backbone interact. energy: 2.476
local terms energy: -220.869673
where:
bonds (distance) C4'-P energy: -35.524
bonds (distance) P-C4' energy: -39.837
flat angles C4'-P-C4' energy: -42.653
flat angles P-C4'-P energy: -39.778
tors. eta vs tors. theta energy: -63.077
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: 3
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -606.748110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.748110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.748110 (E_RNA)
where:
Base-Base interactions energy: -406.395
where: short stacking energy: -188.838
Base-Backbone interact. energy: -1.864
local terms energy: -198.489155
where:
bonds (distance) C4'-P energy: -41.145
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -40.339
flat angles P-C4'-P energy: -24.946
tors. eta vs tors. theta energy: -53.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -537.756903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.756903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.756903 (E_RNA)
where:
Base-Base interactions energy: -346.319
where: short stacking energy: -168.711
Base-Backbone interact. energy: 1.440
local terms energy: -192.877774
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -35.828
flat angles C4'-P-C4' energy: -44.946
flat angles P-C4'-P energy: -23.248
tors. eta vs tors. theta energy: -52.366
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: 7, replica: 7
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -545.431048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.431048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.431048 (E_RNA)
where:
Base-Base interactions energy: -356.431
where: short stacking energy: -173.548
Base-Backbone interact. energy: -0.471
local terms energy: -188.529004
where:
bonds (distance) C4'-P energy: -41.042
bonds (distance) P-C4' energy: -46.416
flat angles C4'-P-C4' energy: -35.618
flat angles P-C4'-P energy: -25.036
tors. eta vs tors. theta energy: -40.417
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: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -435.691589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.691589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.691589 (E_RNA)
where:
Base-Base interactions energy: -275.885
where: short stacking energy: -131.517
Base-Backbone interact. energy: -0.781
local terms energy: -159.025899
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -42.775
flat angles C4'-P-C4' energy: -35.122
flat angles P-C4'-P energy: -21.146
tors. eta vs tors. theta energy: -26.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -304.680495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.680495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.680495 (E_RNA)
where:
Base-Base interactions energy: -154.695
where: short stacking energy: -80.876
Base-Backbone interact. energy: -0.920
local terms energy: -149.065303
where:
bonds (distance) C4'-P energy: -34.928
bonds (distance) P-C4' energy: -39.736
flat angles C4'-P-C4' energy: -40.811
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: -9.084
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: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -245.088538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.088538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.088538 (E_RNA)
where:
Base-Base interactions energy: -111.616
where: short stacking energy: -61.445
Base-Backbone interact. energy: 2.802
local terms energy: -136.274801
where:
bonds (distance) C4'-P energy: -34.525
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -46.402
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: 1.418
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: 1, replica: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -745.102037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.102037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.102037 (E_RNA)
where:
Base-Base interactions energy: -506.792
where: short stacking energy: -225.635
Base-Backbone interact. energy: -1.482
local terms energy: -236.828060
where:
bonds (distance) C4'-P energy: -42.649
bonds (distance) P-C4' energy: -42.732
flat angles C4'-P-C4' energy: -48.628
flat angles P-C4'-P energy: -32.942
tors. eta vs tors. theta energy: -69.876
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: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -721.789092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.789092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.789092 (E_RNA)
where:
Base-Base interactions energy: -489.394
where: short stacking energy: -197.937
Base-Backbone interact. energy: -1.292
local terms energy: -231.103317
where:
bonds (distance) C4'-P energy: -41.592
bonds (distance) P-C4' energy: -45.906
flat angles C4'-P-C4' energy: -48.232
flat angles P-C4'-P energy: -32.586
tors. eta vs tors. theta energy: -62.788
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: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -717.064464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.064464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.064464 (E_RNA)
where:
Base-Base interactions energy: -492.544
where: short stacking energy: -204.974
Base-Backbone interact. energy: -2.948
local terms energy: -221.572067
where:
bonds (distance) C4'-P energy: -38.974
bonds (distance) P-C4' energy: -47.180
flat angles C4'-P-C4' energy: -45.322
flat angles P-C4'-P energy: -32.718
tors. eta vs tors. theta energy: -57.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -650.957256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.957256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.957256 (E_RNA)
where:
Base-Base interactions energy: -441.642
where: short stacking energy: -202.289
Base-Backbone interact. energy: -0.228
local terms energy: -209.087442
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -37.165
flat angles C4'-P-C4' energy: -49.271
flat angles P-C4'-P energy: -24.104
tors. eta vs tors. theta energy: -62.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -633.756683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.756683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.756683 (E_RNA)
where:
Base-Base interactions energy: -419.888
where: short stacking energy: -207.999
Base-Backbone interact. energy: -0.225
local terms energy: -213.643391
where:
bonds (distance) C4'-P energy: -44.697
bonds (distance) P-C4' energy: -37.021
flat angles C4'-P-C4' energy: -43.417
flat angles P-C4'-P energy: -34.068
tors. eta vs tors. theta energy: -54.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -504.080249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.080249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.080249 (E_RNA)
where:
Base-Base interactions energy: -324.756
where: short stacking energy: -154.891
Base-Backbone interact. energy: -0.799
local terms energy: -178.524996
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -36.695
flat angles C4'-P-C4' energy: -38.228
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: -38.321
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: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -563.464396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.464396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.464396 (E_RNA)
where:
Base-Base interactions energy: -388.632
where: short stacking energy: -150.159
Base-Backbone interact. energy: -2.191
local terms energy: -172.641567
where:
bonds (distance) C4'-P energy: -37.706
bonds (distance) P-C4' energy: -36.092
flat angles C4'-P-C4' energy: -44.653
flat angles P-C4'-P energy: -23.368
tors. eta vs tors. theta energy: -30.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -421.164309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.164309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.164309 (E_RNA)
where:
Base-Base interactions energy: -248.249
where: short stacking energy: -120.607
Base-Backbone interact. energy: 0.447
local terms energy: -173.362680
where:
bonds (distance) C4'-P energy: -44.580
bonds (distance) P-C4' energy: -38.770
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -30.303
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: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -295.662224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.662224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.662224 (E_RNA)
where:
Base-Base interactions energy: -153.681
where: short stacking energy: -100.478
Base-Backbone interact. energy: -0.925
local terms energy: -141.056928
where:
bonds (distance) C4'-P energy: -31.932
bonds (distance) P-C4' energy: -46.672
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -6.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -198.828520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.828520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.828520 (E_RNA)
where:
Base-Base interactions energy: -74.089
where: short stacking energy: -52.565
Base-Backbone interact. energy: -0.654
local terms energy: -124.085625
where:
bonds (distance) C4'-P energy: -34.856
bonds (distance) P-C4' energy: -40.046
flat angles C4'-P-C4' energy: -40.276
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: 5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -741.357833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.357833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.357833 (E_RNA)
where:
Base-Base interactions energy: -500.180
where: short stacking energy: -220.829
Base-Backbone interact. energy: -0.430
local terms energy: -240.748375
where:
bonds (distance) C4'-P energy: -44.753
bonds (distance) P-C4' energy: -48.416
flat angles C4'-P-C4' energy: -48.172
flat angles P-C4'-P energy: -34.983
tors. eta vs tors. theta energy: -64.425
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: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -726.116790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.116790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.116790 (E_RNA)
where:
Base-Base interactions energy: -508.625
where: short stacking energy: -218.492
Base-Backbone interact. energy: -0.218
local terms energy: -217.273504
where:
bonds (distance) C4'-P energy: -44.386
bonds (distance) P-C4' energy: -43.094
flat angles C4'-P-C4' energy: -43.549
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -58.044
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: 4
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -711.600011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.600011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.600011 (E_RNA)
where:
Base-Base interactions energy: -478.285
where: short stacking energy: -205.474
Base-Backbone interact. energy: -1.789
local terms energy: -231.526226
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -55.288
flat angles P-C4'-P energy: -30.710
tors. eta vs tors. theta energy: -58.728
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: 4, replica: 3
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -606.488675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.488675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.488675 (E_RNA)
where:
Base-Base interactions energy: -427.086
where: short stacking energy: -201.494
Base-Backbone interact. energy: -1.104
local terms energy: -178.298912
where:
bonds (distance) C4'-P energy: -35.218
bonds (distance) P-C4' energy: -39.036
flat angles C4'-P-C4' energy: -34.624
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: -42.647
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: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -640.279447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.279447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.279447 (E_RNA)
where:
Base-Base interactions energy: -422.206
where: short stacking energy: -204.598
Base-Backbone interact. energy: -0.897
local terms energy: -217.176982
where:
bonds (distance) C4'-P energy: -39.801
bonds (distance) P-C4' energy: -37.057
flat angles C4'-P-C4' energy: -48.107
flat angles P-C4'-P energy: -29.158
tors. eta vs tors. theta energy: -63.054
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: 349
Temperature: 1.150000
Total energy: -551.035560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.035560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.035560 (E_RNA)
where:
Base-Base interactions energy: -341.228
where: short stacking energy: -168.399
Base-Backbone interact. energy: -0.329
local terms energy: -209.478722
where:
bonds (distance) C4'-P energy: -40.446
bonds (distance) P-C4' energy: -52.841
flat angles C4'-P-C4' energy: -43.489
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -48.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -548.306793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.306793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.306793 (E_RNA)
where:
Base-Base interactions energy: -364.013
where: short stacking energy: -157.221
Base-Backbone interact. energy: -0.794
local terms energy: -183.500636
where:
bonds (distance) C4'-P energy: -45.010
bonds (distance) P-C4' energy: -38.051
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -34.487
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: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -438.478851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.478851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.478851 (E_RNA)
where:
Base-Base interactions energy: -276.878
where: short stacking energy: -125.654
Base-Backbone interact. energy: -0.711
local terms energy: -160.889608
where:
bonds (distance) C4'-P energy: -38.615
bonds (distance) P-C4' energy: -38.246
flat angles C4'-P-C4' energy: -33.270
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -27.208
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: 349
Temperature: 1.300000
Total energy: -293.624282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.624282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.624282 (E_RNA)
where:
Base-Base interactions energy: -154.794
where: short stacking energy: -88.143
Base-Backbone interact. energy: 0.091
local terms energy: -138.920620
where:
bonds (distance) C4'-P energy: -37.784
bonds (distance) P-C4' energy: -36.346
flat angles C4'-P-C4' energy: -40.945
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -15.137
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: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -207.601697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.601697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.601697 (E_RNA)
where:
Base-Base interactions energy: -88.770
where: short stacking energy: -70.529
Base-Backbone interact. energy: 0.329
local terms energy: -119.160948
where:
bonds (distance) C4'-P energy: -34.409
bonds (distance) P-C4' energy: -41.082
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -738.050845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.050845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.050845 (E_RNA)
where:
Base-Base interactions energy: -499.448
where: short stacking energy: -228.211
Base-Backbone interact. energy: -0.757
local terms energy: -237.846116
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -45.362
flat angles C4'-P-C4' energy: -49.151
flat angles P-C4'-P energy: -29.265
tors. eta vs tors. theta energy: -64.411
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: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -736.148020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.148020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.148020 (E_RNA)
where:
Base-Base interactions energy: -500.782
where: short stacking energy: -221.551
Base-Backbone interact. energy: -0.657
local terms energy: -234.709532
where:
bonds (distance) C4'-P energy: -42.428
bonds (distance) P-C4' energy: -45.651
flat angles C4'-P-C4' energy: -50.483
flat angles P-C4'-P energy: -33.695
tors. eta vs tors. theta energy: -62.452
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: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -698.356330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.356330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.356330 (E_RNA)
where:
Base-Base interactions energy: -465.540
where: short stacking energy: -205.311
Base-Backbone interact. energy: -1.488
local terms energy: -231.328057
where:
bonds (distance) C4'-P energy: -41.247
bonds (distance) P-C4' energy: -46.492
flat angles C4'-P-C4' energy: -47.447
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -57.302
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: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -632.503841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.503841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.503841 (E_RNA)
where:
Base-Base interactions energy: -413.128
where: short stacking energy: -190.260
Base-Backbone interact. energy: -0.585
local terms energy: -218.790316
where:
bonds (distance) C4'-P energy: -47.115
bonds (distance) P-C4' energy: -38.393
flat angles C4'-P-C4' energy: -42.630
flat angles P-C4'-P energy: -34.018
tors. eta vs tors. theta energy: -56.636
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: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -621.420157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.420157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.420157 (E_RNA)
where:
Base-Base interactions energy: -417.129
where: short stacking energy: -187.789
Base-Backbone interact. energy: -0.404
local terms energy: -203.887263
where:
bonds (distance) C4'-P energy: -31.343
bonds (distance) P-C4' energy: -36.704
flat angles C4'-P-C4' energy: -46.335
flat angles P-C4'-P energy: -31.255
tors. eta vs tors. theta energy: -58.250
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: 6
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -531.995839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.995839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.995839 (E_RNA)
where:
Base-Base interactions energy: -325.472
where: short stacking energy: -163.480
Base-Backbone interact. energy: -0.781
local terms energy: -205.742207
where:
bonds (distance) C4'-P energy: -40.973
bonds (distance) P-C4' energy: -48.273
flat angles C4'-P-C4' energy: -46.622
flat angles P-C4'-P energy: -25.978
tors. eta vs tors. theta energy: -43.896
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: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -557.244016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.244016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.244016 (E_RNA)
where:
Base-Base interactions energy: -382.021
where: short stacking energy: -166.686
Base-Backbone interact. energy: -0.904
local terms energy: -174.318670
where:
bonds (distance) C4'-P energy: -40.854
bonds (distance) P-C4' energy: -27.167
flat angles C4'-P-C4' energy: -38.371
flat angles P-C4'-P energy: -31.495
tors. eta vs tors. theta energy: -36.431
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: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -445.625538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.625538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.625538 (E_RNA)
where:
Base-Base interactions energy: -279.357
where: short stacking energy: -133.115
Base-Backbone interact. energy: -2.119
local terms energy: -164.148671
where:
bonds (distance) C4'-P energy: -34.948
bonds (distance) P-C4' energy: -49.750
flat angles C4'-P-C4' energy: -41.741
flat angles P-C4'-P energy: -15.955
tors. eta vs tors. theta energy: -21.754
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: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -307.697962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.697962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.697962 (E_RNA)
where:
Base-Base interactions energy: -180.067
where: short stacking energy: -91.546
Base-Backbone interact. energy: 2.368
local terms energy: -129.999192
where:
bonds (distance) C4'-P energy: -32.579
bonds (distance) P-C4' energy: -39.400
flat angles C4'-P-C4' energy: -34.060
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -6.430
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: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -262.875225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.875225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.875225 (E_RNA)
where:
Base-Base interactions energy: -136.002
where: short stacking energy: -74.020
Base-Backbone interact. energy: 2.217
local terms energy: -129.089807
where:
bonds (distance) C4'-P energy: -33.458
bonds (distance) P-C4' energy: -35.312
flat angles C4'-P-C4' energy: -37.354
flat angles P-C4'-P energy: -21.706
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -757.075915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.075915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.075915 (E_RNA)
where:
Base-Base interactions energy: -518.712
where: short stacking energy: -238.219
Base-Backbone interact. energy: -1.781
local terms energy: -236.582852
where:
bonds (distance) C4'-P energy: -42.224
bonds (distance) P-C4' energy: -42.177
flat angles C4'-P-C4' energy: -52.467
flat angles P-C4'-P energy: -33.425
tors. eta vs tors. theta energy: -66.290
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: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -722.389005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.389005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.389005 (E_RNA)
where:
Base-Base interactions energy: -500.404
where: short stacking energy: -213.856
Base-Backbone interact. energy: -1.330
local terms energy: -220.655660
where:
bonds (distance) C4'-P energy: -43.583
bonds (distance) P-C4' energy: -38.984
flat angles C4'-P-C4' energy: -46.565
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: -60.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -720.334933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.334933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.334933 (E_RNA)
where:
Base-Base interactions energy: -491.732
where: short stacking energy: -216.325
Base-Backbone interact. energy: -1.406
local terms energy: -227.196354
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -28.739
tors. eta vs tors. theta energy: -58.278
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: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -622.892643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.892643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.892643 (E_RNA)
where:
Base-Base interactions energy: -415.199
where: short stacking energy: -188.891
Base-Backbone interact. energy: -1.602
local terms energy: -206.091740
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -37.150
flat angles C4'-P-C4' energy: -41.278
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -55.373
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: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -620.166094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.166094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.166094 (E_RNA)
where:
Base-Base interactions energy: -408.290
where: short stacking energy: -182.397
Base-Backbone interact. energy: -0.563
local terms energy: -211.313201
where:
bonds (distance) C4'-P energy: -40.849
bonds (distance) P-C4' energy: -41.528
flat angles C4'-P-C4' energy: -46.307
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -50.598
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: 7
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -557.187288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.187288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.187288 (E_RNA)
where:
Base-Base interactions energy: -361.805
where: short stacking energy: -161.806
Base-Backbone interact. energy: -1.532
local terms energy: -193.849866
where:
bonds (distance) C4'-P energy: -32.846
bonds (distance) P-C4' energy: -43.211
flat angles C4'-P-C4' energy: -42.898
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -40.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -507.807002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.807002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.807002 (E_RNA)
where:
Base-Base interactions energy: -335.582
where: short stacking energy: -170.351
Base-Backbone interact. energy: -0.915
local terms energy: -171.309715
where:
bonds (distance) C4'-P energy: -24.146
bonds (distance) P-C4' energy: -37.770
flat angles C4'-P-C4' energy: -39.559
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -39.690
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: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -422.000650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.000650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.000650 (E_RNA)
where:
Base-Base interactions energy: -260.203
where: short stacking energy: -124.225
Base-Backbone interact. energy: -1.014
local terms energy: -160.783125
where:
bonds (distance) C4'-P energy: -33.715
bonds (distance) P-C4' energy: -40.404
flat angles C4'-P-C4' energy: -36.520
flat angles P-C4'-P energy: -28.779
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -317.811788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.811788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.811788 (E_RNA)
where:
Base-Base interactions energy: -165.900
where: short stacking energy: -83.802
Base-Backbone interact. energy: -1.297
local terms energy: -150.615420
where:
bonds (distance) C4'-P energy: -30.489
bonds (distance) P-C4' energy: -47.891
flat angles C4'-P-C4' energy: -37.612
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -300.457115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.457115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.457115 (E_RNA)
where:
Base-Base interactions energy: -169.203
where: short stacking energy: -89.255
Base-Backbone interact. energy: 0.028
local terms energy: -131.282280
where:
bonds (distance) C4'-P energy: -30.894
bonds (distance) P-C4' energy: -39.951
flat angles C4'-P-C4' energy: -36.845
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -748.791094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.791094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.791094 (E_RNA)
where:
Base-Base interactions energy: -505.964
where: short stacking energy: -216.035
Base-Backbone interact. energy: -1.671
local terms energy: -241.155302
where:
bonds (distance) C4'-P energy: -45.075
bonds (distance) P-C4' energy: -41.552
flat angles C4'-P-C4' energy: -48.877
flat angles P-C4'-P energy: -39.988
tors. eta vs tors. theta energy: -65.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -737.854310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.854310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.854310 (E_RNA)
where:
Base-Base interactions energy: -516.962
where: short stacking energy: -221.749
Base-Backbone interact. energy: -0.331
local terms energy: -220.561470
where:
bonds (distance) C4'-P energy: -44.170
bonds (distance) P-C4' energy: -40.292
flat angles C4'-P-C4' energy: -48.901
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -57.081
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: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -734.535565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.535565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.535565 (E_RNA)
where:
Base-Base interactions energy: -510.076
where: short stacking energy: -219.273
Base-Backbone interact. energy: -1.265
local terms energy: -223.195241
where:
bonds (distance) C4'-P energy: -39.734
bonds (distance) P-C4' energy: -42.313
flat angles C4'-P-C4' energy: -53.214
flat angles P-C4'-P energy: -32.322
tors. eta vs tors. theta energy: -55.612
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: 4, replica: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -620.967935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.967935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.967935 (E_RNA)
where:
Base-Base interactions energy: -418.125
where: short stacking energy: -189.075
Base-Backbone interact. energy: -0.961
local terms energy: -201.882342
where:
bonds (distance) C4'-P energy: -38.339
bonds (distance) P-C4' energy: -41.629
flat angles C4'-P-C4' energy: -44.892
flat angles P-C4'-P energy: -28.992
tors. eta vs tors. theta energy: -48.030
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: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -618.284055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.284055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.284055 (E_RNA)
where:
Base-Base interactions energy: -412.694
where: short stacking energy: -183.879
Base-Backbone interact. energy: -1.869
local terms energy: -203.721693
where:
bonds (distance) C4'-P energy: -41.579
bonds (distance) P-C4' energy: -34.001
flat angles C4'-P-C4' energy: -47.767
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: -55.527
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: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -565.880854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.880854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.880854 (E_RNA)
where:
Base-Base interactions energy: -369.300
where: short stacking energy: -172.129
Base-Backbone interact. energy: -2.891
local terms energy: -193.689763
where:
bonds (distance) C4'-P energy: -39.317
bonds (distance) P-C4' energy: -40.429
flat angles C4'-P-C4' energy: -39.925
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: -44.557
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: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -527.016141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.016141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.016141 (E_RNA)
where:
Base-Base interactions energy: -334.093
where: short stacking energy: -161.585
Base-Backbone interact. energy: 0.019
local terms energy: -192.941298
where:
bonds (distance) C4'-P energy: -43.496
bonds (distance) P-C4' energy: -34.091
flat angles C4'-P-C4' energy: -46.931
flat angles P-C4'-P energy: -28.685
tors. eta vs tors. theta energy: -39.739
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: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -440.046461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.046461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.046461 (E_RNA)
where:
Base-Base interactions energy: -270.147
where: short stacking energy: -135.275
Base-Backbone interact. energy: -0.275
local terms energy: -169.624661
where:
bonds (distance) C4'-P energy: -38.804
bonds (distance) P-C4' energy: -36.295
flat angles C4'-P-C4' energy: -34.784
flat angles P-C4'-P energy: -23.982
tors. eta vs tors. theta energy: -35.760
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: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -350.048081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.048081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.048081 (E_RNA)
where:
Base-Base interactions energy: -206.772
where: short stacking energy: -126.258
Base-Backbone interact. energy: -1.119
local terms energy: -142.157356
where:
bonds (distance) C4'-P energy: -35.972
bonds (distance) P-C4' energy: -30.372
flat angles C4'-P-C4' energy: -38.857
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -20.122
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: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -279.107607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.107607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.107607 (E_RNA)
where:
Base-Base interactions energy: -136.360
where: short stacking energy: -72.231
Base-Backbone interact. energy: 0.851
local terms energy: -143.599351
where:
bonds (distance) C4'-P energy: -41.056
bonds (distance) P-C4' energy: -33.572
flat angles C4'-P-C4' energy: -43.267
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -6.001
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: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -743.036495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.036495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.036495 (E_RNA)
where:
Base-Base interactions energy: -507.243
where: short stacking energy: -226.000
Base-Backbone interact. energy: -1.134
local terms energy: -234.659856
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -41.060
flat angles C4'-P-C4' energy: -53.098
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: -69.043
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: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -725.873393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.873393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.873393 (E_RNA)
where:
Base-Base interactions energy: -491.532
where: short stacking energy: -214.888
Base-Backbone interact. energy: -0.597
local terms energy: -233.744319
where:
bonds (distance) C4'-P energy: -49.426
bonds (distance) P-C4' energy: -44.954
flat angles C4'-P-C4' energy: -44.746
flat angles P-C4'-P energy: -32.681
tors. eta vs tors. theta energy: -61.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -722.223823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.223823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.223823 (E_RNA)
where:
Base-Base interactions energy: -498.756
where: short stacking energy: -214.326
Base-Backbone interact. energy: -2.052
local terms energy: -221.415818
where:
bonds (distance) C4'-P energy: -43.257
bonds (distance) P-C4' energy: -46.992
flat angles C4'-P-C4' energy: -44.323
flat angles P-C4'-P energy: -32.048
tors. eta vs tors. theta energy: -54.797
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: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -647.653374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.653374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.653374 (E_RNA)
where:
Base-Base interactions energy: -428.493
where: short stacking energy: -209.476
Base-Backbone interact. energy: -2.255
local terms energy: -216.905325
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -43.863
flat angles C4'-P-C4' energy: -42.346
flat angles P-C4'-P energy: -33.160
tors. eta vs tors. theta energy: -61.987
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: 5, replica: 3
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -623.179509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.179509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.179509 (E_RNA)
where:
Base-Base interactions energy: -418.377
where: short stacking energy: -189.883
Base-Backbone interact. energy: -0.522
local terms energy: -204.279902
where:
bonds (distance) C4'-P energy: -38.275
bonds (distance) P-C4' energy: -46.433
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: -50.769
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: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -544.072699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.072699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.072699 (E_RNA)
where:
Base-Base interactions energy: -362.070
where: short stacking energy: -155.679
Base-Backbone interact. energy: -0.062
local terms energy: -181.940435
where:
bonds (distance) C4'-P energy: -48.891
bonds (distance) P-C4' energy: -29.344
flat angles C4'-P-C4' energy: -42.198
flat angles P-C4'-P energy: -23.812
tors. eta vs tors. theta energy: -37.695
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: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -522.600636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.600636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.600636 (E_RNA)
where:
Base-Base interactions energy: -328.917
where: short stacking energy: -162.712
Base-Backbone interact. energy: 0.038
local terms energy: -193.721533
where:
bonds (distance) C4'-P energy: -41.182
bonds (distance) P-C4' energy: -42.739
flat angles C4'-P-C4' energy: -42.873
flat angles P-C4'-P energy: -21.694
tors. eta vs tors. theta energy: -45.234
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: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -442.059201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.059201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.059201 (E_RNA)
where:
Base-Base interactions energy: -259.994
where: short stacking energy: -128.927
Base-Backbone interact. energy: -0.303
local terms energy: -181.762614
where:
bonds (distance) C4'-P energy: -36.057
bonds (distance) P-C4' energy: -39.599
flat angles C4'-P-C4' energy: -44.477
flat angles P-C4'-P energy: -25.695
tors. eta vs tors. theta energy: -35.935
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: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -354.733142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.733142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.733142 (E_RNA)
where:
Base-Base interactions energy: -204.277
where: short stacking energy: -118.189
Base-Backbone interact. energy: -1.059
local terms energy: -149.396325
where:
bonds (distance) C4'-P energy: -37.731
bonds (distance) P-C4' energy: -35.097
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: -25.196
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: 353
Temperature: 1.350000
Total energy: -194.223885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.223885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.223885 (E_RNA)
where:
Base-Base interactions energy: -70.973
where: short stacking energy: -64.925
Base-Backbone interact. energy: -0.815
local terms energy: -122.435212
where:
bonds (distance) C4'-P energy: -40.720
bonds (distance) P-C4' energy: -30.453
flat angles C4'-P-C4' energy: -38.519
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: 4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -741.443443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.443443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.443443 (E_RNA)
where:
Base-Base interactions energy: -504.594
where: short stacking energy: -233.831
Base-Backbone interact. energy: -0.387
local terms energy: -236.462779
where:
bonds (distance) C4'-P energy: -43.538
bonds (distance) P-C4' energy: -43.042
flat angles C4'-P-C4' energy: -47.092
flat angles P-C4'-P energy: -34.990
tors. eta vs tors. theta energy: -67.800
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: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -729.292455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.292455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.292455 (E_RNA)
where:
Base-Base interactions energy: -501.580
where: short stacking energy: -229.594
Base-Backbone interact. energy: -0.177
local terms energy: -227.535762
where:
bonds (distance) C4'-P energy: -46.055
bonds (distance) P-C4' energy: -40.938
flat angles C4'-P-C4' energy: -48.418
flat angles P-C4'-P energy: -29.253
tors. eta vs tors. theta energy: -62.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -711.437403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.437403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.437403 (E_RNA)
where:
Base-Base interactions energy: -484.254
where: short stacking energy: -208.527
Base-Backbone interact. energy: -0.694
local terms energy: -226.489485
where:
bonds (distance) C4'-P energy: -45.078
bonds (distance) P-C4' energy: -36.474
flat angles C4'-P-C4' energy: -51.848
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -59.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -643.664896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.664896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.664896 (E_RNA)
where:
Base-Base interactions energy: -439.994
where: short stacking energy: -201.386
Base-Backbone interact. energy: -0.782
local terms energy: -202.889103
where:
bonds (distance) C4'-P energy: -33.786
bonds (distance) P-C4' energy: -40.754
flat angles C4'-P-C4' energy: -44.746
flat angles P-C4'-P energy: -26.888
tors. eta vs tors. theta energy: -56.714
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: 5, replica: 3
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -595.333324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.333324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.333324 (E_RNA)
where:
Base-Base interactions energy: -388.717
where: short stacking energy: -183.499
Base-Backbone interact. energy: -1.690
local terms energy: -204.925928
where:
bonds (distance) C4'-P energy: -38.299
bonds (distance) P-C4' energy: -44.338
flat angles C4'-P-C4' energy: -45.287
flat angles P-C4'-P energy: -25.699
tors. eta vs tors. theta energy: -51.303
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: 7
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -546.332773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.332773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.332773 (E_RNA)
where:
Base-Base interactions energy: -358.234
where: short stacking energy: -165.474
Base-Backbone interact. energy: 0.109
local terms energy: -188.207629
where:
bonds (distance) C4'-P energy: -38.346
bonds (distance) P-C4' energy: -39.678
flat angles C4'-P-C4' energy: -45.664
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: -35.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -521.164491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.164491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.164491 (E_RNA)
where:
Base-Base interactions energy: -338.577
where: short stacking energy: -144.132
Base-Backbone interact. energy: -1.000
local terms energy: -181.587438
where:
bonds (distance) C4'-P energy: -39.148
bonds (distance) P-C4' energy: -39.198
flat angles C4'-P-C4' energy: -39.124
flat angles P-C4'-P energy: -25.843
tors. eta vs tors. theta energy: -38.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -423.863428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.863428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.863428 (E_RNA)
where:
Base-Base interactions energy: -250.152
where: short stacking energy: -128.534
Base-Backbone interact. energy: -0.853
local terms energy: -172.858220
where:
bonds (distance) C4'-P energy: -42.558
bonds (distance) P-C4' energy: -40.966
flat angles C4'-P-C4' energy: -45.294
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -25.776
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: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -357.227862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.227862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.227862 (E_RNA)
where:
Base-Base interactions energy: -214.882
where: short stacking energy: -108.725
Base-Backbone interact. energy: 0.356
local terms energy: -142.701970
where:
bonds (distance) C4'-P energy: -43.732
bonds (distance) P-C4' energy: -39.373
flat angles C4'-P-C4' energy: -33.836
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -12.048
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: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -200.487011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.487011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.487011 (E_RNA)
where:
Base-Base interactions energy: -81.888
where: short stacking energy: -76.780
Base-Backbone interact. energy: 3.038
local terms energy: -121.636872
where:
bonds (distance) C4'-P energy: -37.406
bonds (distance) P-C4' energy: -24.124
flat angles C4'-P-C4' energy: -34.207
flat angles P-C4'-P energy: -16.559
tors. eta vs tors. theta energy: -9.341
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: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -757.635384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.635384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.635384 (E_RNA)
where:
Base-Base interactions energy: -543.197
where: short stacking energy: -226.789
Base-Backbone interact. energy: -0.653
local terms energy: -213.785579
where:
bonds (distance) C4'-P energy: -37.864
bonds (distance) P-C4' energy: -39.972
flat angles C4'-P-C4' energy: -43.464
flat angles P-C4'-P energy: -28.871
tors. eta vs tors. theta energy: -63.616
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: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -702.827062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.827062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.827062 (E_RNA)
where:
Base-Base interactions energy: -496.368
where: short stacking energy: -217.542
Base-Backbone interact. energy: -0.435
local terms energy: -206.024303
where:
bonds (distance) C4'-P energy: -36.889
bonds (distance) P-C4' energy: -41.075
flat angles C4'-P-C4' energy: -41.740
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -54.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -711.974073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.974073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.974073 (E_RNA)
where:
Base-Base interactions energy: -477.724
where: short stacking energy: -221.274
Base-Backbone interact. energy: -0.251
local terms energy: -233.998523
where:
bonds (distance) C4'-P energy: -37.182
bonds (distance) P-C4' energy: -45.144
flat angles C4'-P-C4' energy: -50.590
flat angles P-C4'-P energy: -33.516
tors. eta vs tors. theta energy: -67.567
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: 4, replica: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -644.936865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.936865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.936865 (E_RNA)
where:
Base-Base interactions energy: -433.851
where: short stacking energy: -195.947
Base-Backbone interact. energy: 0.039
local terms energy: -211.124814
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -36.532
flat angles C4'-P-C4' energy: -46.255
flat angles P-C4'-P energy: -28.577
tors. eta vs tors. theta energy: -55.118
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: 5, replica: 3
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -612.908494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.908494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.908494 (E_RNA)
where:
Base-Base interactions energy: -404.823
where: short stacking energy: -197.712
Base-Backbone interact. energy: 2.410
local terms energy: -210.495243
where:
bonds (distance) C4'-P energy: -45.418
bonds (distance) P-C4' energy: -40.415
flat angles C4'-P-C4' energy: -42.386
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -57.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -539.039141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.039141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.039141 (E_RNA)
where:
Base-Base interactions energy: -348.261
where: short stacking energy: -157.029
Base-Backbone interact. energy: -0.326
local terms energy: -190.452215
where:
bonds (distance) C4'-P energy: -38.595
bonds (distance) P-C4' energy: -43.141
flat angles C4'-P-C4' energy: -41.931
flat angles P-C4'-P energy: -33.851
tors. eta vs tors. theta energy: -32.934
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: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -481.516781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.516781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.516781 (E_RNA)
where:
Base-Base interactions energy: -307.989
where: short stacking energy: -144.605
Base-Backbone interact. energy: 2.800
local terms energy: -176.327261
where:
bonds (distance) C4'-P energy: -37.594
bonds (distance) P-C4' energy: -40.171
flat angles C4'-P-C4' energy: -41.396
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: -36.342
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: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -427.865230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.865230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.865230 (E_RNA)
where:
Base-Base interactions energy: -266.839
where: short stacking energy: -131.535
Base-Backbone interact. energy: -0.360
local terms energy: -160.666064
where:
bonds (distance) C4'-P energy: -34.492
bonds (distance) P-C4' energy: -39.713
flat angles C4'-P-C4' energy: -46.207
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -23.410
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: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -358.200800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.200800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.200800 (E_RNA)
where:
Base-Base interactions energy: -199.028
where: short stacking energy: -107.935
Base-Backbone interact. energy: 0.434
local terms energy: -159.606759
where:
bonds (distance) C4'-P energy: -44.459
bonds (distance) P-C4' energy: -38.814
flat angles C4'-P-C4' energy: -33.675
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -15.974
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: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -194.897621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.897621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.897621 (E_RNA)
where:
Base-Base interactions energy: -65.686
where: short stacking energy: -65.686
Base-Backbone interact. energy: -1.505
local terms energy: -127.706979
where:
bonds (distance) C4'-P energy: -40.187
bonds (distance) P-C4' energy: -31.508
flat angles C4'-P-C4' energy: -39.278
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: 0.457
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: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -763.135693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.135693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.135693 (E_RNA)
where:
Base-Base interactions energy: -518.253
where: short stacking energy: -227.163
Base-Backbone interact. energy: -0.060
local terms energy: -244.822095
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -48.325
flat angles C4'-P-C4' energy: -53.472
flat angles P-C4'-P energy: -33.775
tors. eta vs tors. theta energy: -69.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -722.654909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.654909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.654909 (E_RNA)
where:
Base-Base interactions energy: -501.880
where: short stacking energy: -213.880
Base-Backbone interact. energy: 1.195
local terms energy: -221.969543
where:
bonds (distance) C4'-P energy: -40.739
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -52.447
flat angles P-C4'-P energy: -23.077
tors. eta vs tors. theta energy: -58.651
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: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -716.697628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.697628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.697628 (E_RNA)
where:
Base-Base interactions energy: -490.696
where: short stacking energy: -211.944
Base-Backbone interact. energy: -1.414
local terms energy: -224.587805
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -42.600
flat angles C4'-P-C4' energy: -50.315
flat angles P-C4'-P energy: -32.400
tors. eta vs tors. theta energy: -63.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -665.751601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.751601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.751601 (E_RNA)
where:
Base-Base interactions energy: -466.758
where: short stacking energy: -186.685
Base-Backbone interact. energy: 0.015
local terms energy: -199.009075
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -41.631
flat angles C4'-P-C4' energy: -39.353
flat angles P-C4'-P energy: -24.969
tors. eta vs tors. theta energy: -56.269
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: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -537.154095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.154095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.154095 (E_RNA)
where:
Base-Base interactions energy: -348.526
where: short stacking energy: -156.314
Base-Backbone interact. energy: 0.989
local terms energy: -189.616746
where:
bonds (distance) C4'-P energy: -40.498
bonds (distance) P-C4' energy: -45.129
flat angles C4'-P-C4' energy: -39.296
flat angles P-C4'-P energy: -31.710
tors. eta vs tors. theta energy: -32.983
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: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -561.480545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.480545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.480545 (E_RNA)
where:
Base-Base interactions energy: -362.317
where: short stacking energy: -170.945
Base-Backbone interact. energy: -0.618
local terms energy: -198.545499
where:
bonds (distance) C4'-P energy: -37.123
bonds (distance) P-C4' energy: -40.221
flat angles C4'-P-C4' energy: -45.182
flat angles P-C4'-P energy: -29.477
tors. eta vs tors. theta energy: -46.543
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: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -506.603259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.603259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.603259 (E_RNA)
where:
Base-Base interactions energy: -329.748
where: short stacking energy: -152.966
Base-Backbone interact. energy: -1.206
local terms energy: -175.649681
where:
bonds (distance) C4'-P energy: -36.364
bonds (distance) P-C4' energy: -34.249
flat angles C4'-P-C4' energy: -36.584
flat angles P-C4'-P energy: -31.097
tors. eta vs tors. theta energy: -37.355
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: 8, replica: 8
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -432.304464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.304464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.304464 (E_RNA)
where:
Base-Base interactions energy: -262.571
where: short stacking energy: -132.618
Base-Backbone interact. energy: -0.308
local terms energy: -169.425614
where:
bonds (distance) C4'-P energy: -29.046
bonds (distance) P-C4' energy: -41.793
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -28.525
tors. eta vs tors. theta energy: -30.885
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: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -371.817189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.817189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.817189 (E_RNA)
where:
Base-Base interactions energy: -213.170
where: short stacking energy: -116.842
Base-Backbone interact. energy: -1.535
local terms energy: -157.112444
where:
bonds (distance) C4'-P energy: -38.271
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -21.072
tors. eta vs tors. theta energy: -21.361
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: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -231.789948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.789948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.789948 (E_RNA)
where:
Base-Base interactions energy: -106.575
where: short stacking energy: -69.968
Base-Backbone interact. energy: 0.386
local terms energy: -125.600842
where:
bonds (distance) C4'-P energy: -38.988
bonds (distance) P-C4' energy: -41.288
flat angles C4'-P-C4' energy: -37.952
flat angles P-C4'-P energy: -6.841
tors. eta vs tors. theta energy: -0.532
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: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -744.133194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.133194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.133194 (E_RNA)
where:
Base-Base interactions energy: -509.280
where: short stacking energy: -223.306
Base-Backbone interact. energy: -0.107
local terms energy: -234.745741
where:
bonds (distance) C4'-P energy: -40.973
bonds (distance) P-C4' energy: -42.008
flat angles C4'-P-C4' energy: -50.939
flat angles P-C4'-P energy: -36.428
tors. eta vs tors. theta energy: -64.397
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: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -710.377865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.377865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.377865 (E_RNA)
where:
Base-Base interactions energy: -480.023
where: short stacking energy: -214.946
Base-Backbone interact. energy: -1.208
local terms energy: -229.146769
where:
bonds (distance) C4'-P energy: -42.978
bonds (distance) P-C4' energy: -40.630
flat angles C4'-P-C4' energy: -48.750
flat angles P-C4'-P energy: -31.478
tors. eta vs tors. theta energy: -65.311
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: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -708.181328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.181328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.181328 (E_RNA)
where:
Base-Base interactions energy: -480.119
where: short stacking energy: -217.799
Base-Backbone interact. energy: -1.396
local terms energy: -226.665991
where:
bonds (distance) C4'-P energy: -38.302
bonds (distance) P-C4' energy: -44.635
flat angles C4'-P-C4' energy: -49.092
flat angles P-C4'-P energy: -33.705
tors. eta vs tors. theta energy: -60.932
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: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -662.144391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.144391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.144391 (E_RNA)
where:
Base-Base interactions energy: -436.042
where: short stacking energy: -194.024
Base-Backbone interact. energy: 0.589
local terms energy: -226.691037
where:
bonds (distance) C4'-P energy: -37.922
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -44.876
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -64.245
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: 5, replica: 7
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -543.918795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.918795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.918795 (E_RNA)
where:
Base-Base interactions energy: -363.160
where: short stacking energy: -162.683
Base-Backbone interact. energy: 0.275
local terms energy: -181.034309
where:
bonds (distance) C4'-P energy: -38.225
bonds (distance) P-C4' energy: -33.497
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -31.311
tors. eta vs tors. theta energy: -36.953
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: 6, replica: 3
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -597.642846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.642846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.642846 (E_RNA)
where:
Base-Base interactions energy: -392.295
where: short stacking energy: -188.619
Base-Backbone interact. energy: -0.656
local terms energy: -204.691984
where:
bonds (distance) C4'-P energy: -40.547
bonds (distance) P-C4' energy: -39.428
flat angles C4'-P-C4' energy: -40.830
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -54.828
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: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -509.070287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.070287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.070287 (E_RNA)
where:
Base-Base interactions energy: -332.655
where: short stacking energy: -169.618
Base-Backbone interact. energy: -0.623
local terms energy: -175.792519
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -45.298
flat angles P-C4'-P energy: -27.364
tors. eta vs tors. theta energy: -46.976
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: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -407.863644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.863644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.863644 (E_RNA)
where:
Base-Base interactions energy: -237.126
where: short stacking energy: -116.884
Base-Backbone interact. energy: -0.332
local terms energy: -170.406300
where:
bonds (distance) C4'-P energy: -39.813
bonds (distance) P-C4' energy: -39.782
flat angles C4'-P-C4' energy: -42.323
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -29.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -379.328228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.328228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.328228 (E_RNA)
where:
Base-Base interactions energy: -221.896
where: short stacking energy: -122.738
Base-Backbone interact. energy: 0.360
local terms energy: -157.792214
where:
bonds (distance) C4'-P energy: -31.212
bonds (distance) P-C4' energy: -39.757
flat angles C4'-P-C4' energy: -35.273
flat angles P-C4'-P energy: -19.873
tors. eta vs tors. theta energy: -31.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -254.954545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.954545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.954545 (E_RNA)
where:
Base-Base interactions energy: -119.113
where: short stacking energy: -76.520
Base-Backbone interact. energy: -0.497
local terms energy: -135.344437
where:
bonds (distance) C4'-P energy: -42.337
bonds (distance) P-C4' energy: -38.043
flat angles C4'-P-C4' energy: -31.632
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -8.497
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: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -741.998813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.998813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.998813 (E_RNA)
where:
Base-Base interactions energy: -502.960
where: short stacking energy: -210.663
Base-Backbone interact. energy: -1.263
local terms energy: -237.775392
where:
bonds (distance) C4'-P energy: -48.157
bonds (distance) P-C4' energy: -49.131
flat angles C4'-P-C4' energy: -46.622
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -56.298
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: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -728.818876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.818876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.818876 (E_RNA)
where:
Base-Base interactions energy: -507.330
where: short stacking energy: -200.168
Base-Backbone interact. energy: -1.209
local terms energy: -220.279689
where:
bonds (distance) C4'-P energy: -38.242
bonds (distance) P-C4' energy: -47.865
flat angles C4'-P-C4' energy: -45.524
flat angles P-C4'-P energy: -30.633
tors. eta vs tors. theta energy: -58.016
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: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -713.150424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.150424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.150424 (E_RNA)
where:
Base-Base interactions energy: -486.730
where: short stacking energy: -215.202
Base-Backbone interact. energy: -2.324
local terms energy: -224.096666
where:
bonds (distance) C4'-P energy: -41.591
bonds (distance) P-C4' energy: -43.203
flat angles C4'-P-C4' energy: -49.310
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -53.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -666.703561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.703561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.703561 (E_RNA)
where:
Base-Base interactions energy: -450.137
where: short stacking energy: -207.100
Base-Backbone interact. energy: 0.926
local terms energy: -217.492421
where:
bonds (distance) C4'-P energy: -44.335
bonds (distance) P-C4' energy: -38.983
flat angles C4'-P-C4' energy: -41.696
flat angles P-C4'-P energy: -26.401
tors. eta vs tors. theta energy: -66.076
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: 5, replica: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -649.127287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.127287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.127287 (E_RNA)
where:
Base-Base interactions energy: -444.010
where: short stacking energy: -200.279
Base-Backbone interact. energy: 1.471
local terms energy: -206.588073
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -46.106
flat angles C4'-P-C4' energy: -46.531
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -51.432
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: 6, replica: 7
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -591.004139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.004139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.004139 (E_RNA)
where:
Base-Base interactions energy: -392.989
where: short stacking energy: -181.003
Base-Backbone interact. energy: 0.012
local terms energy: -198.027212
where:
bonds (distance) C4'-P energy: -36.197
bonds (distance) P-C4' energy: -40.090
flat angles C4'-P-C4' energy: -46.228
flat angles P-C4'-P energy: -30.046
tors. eta vs tors. theta energy: -45.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -496.757394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.757394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.757394 (E_RNA)
where:
Base-Base interactions energy: -305.693
where: short stacking energy: -150.820
Base-Backbone interact. energy: -1.297
local terms energy: -189.767350
where:
bonds (distance) C4'-P energy: -40.480
bonds (distance) P-C4' energy: -40.254
flat angles C4'-P-C4' energy: -41.162
flat angles P-C4'-P energy: -33.436
tors. eta vs tors. theta energy: -34.435
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: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -436.528499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.528499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.528499 (E_RNA)
where:
Base-Base interactions energy: -260.410
where: short stacking energy: -128.100
Base-Backbone interact. energy: -0.322
local terms energy: -175.796202
where:
bonds (distance) C4'-P energy: -45.715
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -41.357
flat angles P-C4'-P energy: -25.503
tors. eta vs tors. theta energy: -28.841
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: 9, replica: 9
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -349.775321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.775321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.775321 (E_RNA)
where:
Base-Base interactions energy: -201.641
where: short stacking energy: -110.314
Base-Backbone interact. energy: -1.824
local terms energy: -146.310247
where:
bonds (distance) C4'-P energy: -34.024
bonds (distance) P-C4' energy: -27.595
flat angles C4'-P-C4' energy: -40.564
flat angles P-C4'-P energy: -27.073
tors. eta vs tors. theta energy: -17.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -227.395498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.395498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.395498 (E_RNA)
where:
Base-Base interactions energy: -111.891
where: short stacking energy: -61.290
Base-Backbone interact. energy: -0.677
local terms energy: -114.827146
where:
bonds (distance) C4'-P energy: -35.832
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -32.627
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -734.665659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.665659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.665659 (E_RNA)
where:
Base-Base interactions energy: -493.248
where: short stacking energy: -217.482
Base-Backbone interact. energy: -0.200
local terms energy: -241.217527
where:
bonds (distance) C4'-P energy: -45.388
bonds (distance) P-C4' energy: -43.522
flat angles C4'-P-C4' energy: -52.254
flat angles P-C4'-P energy: -38.127
tors. eta vs tors. theta energy: -61.927
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: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -738.041162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.041162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.041162 (E_RNA)
where:
Base-Base interactions energy: -517.967
where: short stacking energy: -218.978
Base-Backbone interact. energy: -0.570
local terms energy: -219.504524
where:
bonds (distance) C4'-P energy: -38.501
bonds (distance) P-C4' energy: -38.842
flat angles C4'-P-C4' energy: -52.027
flat angles P-C4'-P energy: -28.004
tors. eta vs tors. theta energy: -62.130
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: 4
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -710.154788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.154788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.154788 (E_RNA)
where:
Base-Base interactions energy: -491.620
where: short stacking energy: -208.865
Base-Backbone interact. energy: -1.735
local terms energy: -216.800351
where:
bonds (distance) C4'-P energy: -42.311
bonds (distance) P-C4' energy: -35.927
flat angles C4'-P-C4' energy: -49.342
flat angles P-C4'-P energy: -28.149
tors. eta vs tors. theta energy: -61.071
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: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -657.575670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.575670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.575670 (E_RNA)
where:
Base-Base interactions energy: -436.437
where: short stacking energy: -181.056
Base-Backbone interact. energy: 0.099
local terms energy: -221.238075
where:
bonds (distance) C4'-P energy: -41.791
bonds (distance) P-C4' energy: -48.352
flat angles C4'-P-C4' energy: -48.741
flat angles P-C4'-P energy: -29.872
tors. eta vs tors. theta energy: -52.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -639.616866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.616866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.616866 (E_RNA)
where:
Base-Base interactions energy: -438.051
where: short stacking energy: -199.558
Base-Backbone interact. energy: 1.698
local terms energy: -203.264330
where:
bonds (distance) C4'-P energy: -35.490
bonds (distance) P-C4' energy: -36.930
flat angles C4'-P-C4' energy: -39.199
flat angles P-C4'-P energy: -31.227
tors. eta vs tors. theta energy: -60.418
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: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -571.918877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.918877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.918877 (E_RNA)
where:
Base-Base interactions energy: -386.329
where: short stacking energy: -181.416
Base-Backbone interact. energy: -1.516
local terms energy: -184.073879
where:
bonds (distance) C4'-P energy: -40.393
bonds (distance) P-C4' energy: -33.617
flat angles C4'-P-C4' energy: -41.057
flat angles P-C4'-P energy: -21.748
tors. eta vs tors. theta energy: -47.258
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: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -507.417127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.417127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.417127 (E_RNA)
where:
Base-Base interactions energy: -319.834
where: short stacking energy: -148.914
Base-Backbone interact. energy: -1.356
local terms energy: -186.227330
where:
bonds (distance) C4'-P energy: -36.785
bonds (distance) P-C4' energy: -41.335
flat angles C4'-P-C4' energy: -39.788
flat angles P-C4'-P energy: -32.958
tors. eta vs tors. theta energy: -35.362
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: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -442.310578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.310578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.310578 (E_RNA)
where:
Base-Base interactions energy: -270.643
where: short stacking energy: -132.661
Base-Backbone interact. energy: -0.692
local terms energy: -170.975807
where:
bonds (distance) C4'-P energy: -36.973
bonds (distance) P-C4' energy: -35.994
flat angles C4'-P-C4' energy: -40.731
flat angles P-C4'-P energy: -31.141
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -338.509606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.509606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.509606 (E_RNA)
where:
Base-Base interactions energy: -203.867
where: short stacking energy: -106.210
Base-Backbone interact. energy: -0.451
local terms energy: -134.192443
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -39.277
flat angles C4'-P-C4' energy: -35.768
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -21.984
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: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -216.521262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.521262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.521262 (E_RNA)
where:
Base-Base interactions energy: -101.496
where: short stacking energy: -67.286
Base-Backbone interact. energy: -1.176
local terms energy: -113.848834
where:
bonds (distance) C4'-P energy: -26.460
bonds (distance) P-C4' energy: -43.998
flat angles C4'-P-C4' energy: -30.955
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: 2.039
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: 360
Temperature: 0.900000
Total energy: -739.116120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.116120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.116120 (E_RNA)
where:
Base-Base interactions energy: -492.052
where: short stacking energy: -222.094
Base-Backbone interact. energy: -1.397
local terms energy: -245.666427
where:
bonds (distance) C4'-P energy: -45.779
bonds (distance) P-C4' energy: -43.949
flat angles C4'-P-C4' energy: -56.045
flat angles P-C4'-P energy: -38.726
tors. eta vs tors. theta energy: -61.168
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: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -736.524363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.524363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.524363 (E_RNA)
where:
Base-Base interactions energy: -505.349
where: short stacking energy: -214.278
Base-Backbone interact. energy: -1.032
local terms energy: -230.143532
where:
bonds (distance) C4'-P energy: -44.500
bonds (distance) P-C4' energy: -43.642
flat angles C4'-P-C4' energy: -48.204
flat angles P-C4'-P energy: -26.206
tors. eta vs tors. theta energy: -67.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -719.594115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.594115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.594115 (E_RNA)
where:
Base-Base interactions energy: -488.313
where: short stacking energy: -206.005
Base-Backbone interact. energy: -1.961
local terms energy: -229.319942
where:
bonds (distance) C4'-P energy: -42.048
bonds (distance) P-C4' energy: -42.362
flat angles C4'-P-C4' energy: -47.947
flat angles P-C4'-P energy: -32.096
tors. eta vs tors. theta energy: -64.868
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: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -636.872534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.872534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.872534 (E_RNA)
where:
Base-Base interactions energy: -440.162
where: short stacking energy: -200.071
Base-Backbone interact. energy: -0.884
local terms energy: -195.827077
where:
bonds (distance) C4'-P energy: -34.548
bonds (distance) P-C4' energy: -40.094
flat angles C4'-P-C4' energy: -36.824
flat angles P-C4'-P energy: -27.435
tors. eta vs tors. theta energy: -56.925
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: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -642.101964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.101964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.101964 (E_RNA)
where:
Base-Base interactions energy: -432.034
where: short stacking energy: -207.442
Base-Backbone interact. energy: 0.287
local terms energy: -210.354939
where:
bonds (distance) C4'-P energy: -42.328
bonds (distance) P-C4' energy: -38.056
flat angles C4'-P-C4' energy: -41.114
flat angles P-C4'-P energy: -28.887
tors. eta vs tors. theta energy: -59.970
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: 6, replica: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -584.686112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.686112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.686112 (E_RNA)
where:
Base-Base interactions energy: -392.855
where: short stacking energy: -175.885
Base-Backbone interact. energy: -0.805
local terms energy: -191.025632
where:
bonds (distance) C4'-P energy: -38.334
bonds (distance) P-C4' energy: -37.296
flat angles C4'-P-C4' energy: -44.322
flat angles P-C4'-P energy: -23.584
tors. eta vs tors. theta energy: -47.489
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: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -530.433578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.433578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.433578 (E_RNA)
where:
Base-Base interactions energy: -339.688
where: short stacking energy: -164.329
Base-Backbone interact. energy: -0.746
local terms energy: -189.999083
where:
bonds (distance) C4'-P energy: -42.611
bonds (distance) P-C4' energy: -35.537
flat angles C4'-P-C4' energy: -42.972
flat angles P-C4'-P energy: -35.272
tors. eta vs tors. theta energy: -33.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -428.336938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.336938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.336938 (E_RNA)
where:
Base-Base interactions energy: -259.626
where: short stacking energy: -131.877
Base-Backbone interact. energy: 1.460
local terms energy: -170.170192
where:
bonds (distance) C4'-P energy: -41.567
bonds (distance) P-C4' energy: -33.365
flat angles C4'-P-C4' energy: -38.875
flat angles P-C4'-P energy: -23.639
tors. eta vs tors. theta energy: -32.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -363.420709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.420709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.420709 (E_RNA)
where:
Base-Base interactions energy: -212.694
where: short stacking energy: -120.868
Base-Backbone interact. energy: -0.215
local terms energy: -150.511566
where:
bonds (distance) C4'-P energy: -35.737
bonds (distance) P-C4' energy: -32.085
flat angles C4'-P-C4' energy: -38.467
flat angles P-C4'-P energy: -27.737
tors. eta vs tors. theta energy: -16.487
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: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -180.097943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.097943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.097943 (E_RNA)
where:
Base-Base interactions energy: -54.957
where: short stacking energy: -48.710
Base-Backbone interact. energy: -0.260
local terms energy: -124.880914
where:
bonds (distance) C4'-P energy: -37.631
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -40.173
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: 7.712
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: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -729.965295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.965295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.965295 (E_RNA)
where:
Base-Base interactions energy: -486.395
where: short stacking energy: -221.115
Base-Backbone interact. energy: -0.476
local terms energy: -243.094878
where:
bonds (distance) C4'-P energy: -42.328
bonds (distance) P-C4' energy: -49.011
flat angles C4'-P-C4' energy: -50.679
flat angles P-C4'-P energy: -36.205
tors. eta vs tors. theta energy: -64.873
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: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -743.554071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.554071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.554071 (E_RNA)
where:
Base-Base interactions energy: -502.954
where: short stacking energy: -229.364
Base-Backbone interact. energy: -0.970
local terms energy: -239.630801
where:
bonds (distance) C4'-P energy: -43.585
bonds (distance) P-C4' energy: -49.037
flat angles C4'-P-C4' energy: -47.649
flat angles P-C4'-P energy: -32.063
tors. eta vs tors. theta energy: -67.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -723.194489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.194489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.194489 (E_RNA)
where:
Base-Base interactions energy: -490.774
where: short stacking energy: -219.299
Base-Backbone interact. energy: -1.327
local terms energy: -231.093698
where:
bonds (distance) C4'-P energy: -41.665
bonds (distance) P-C4' energy: -46.664
flat angles C4'-P-C4' energy: -50.707
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -60.728
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: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -664.017308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.017308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.017308 (E_RNA)
where:
Base-Base interactions energy: -444.998
where: short stacking energy: -196.802
Base-Backbone interact. energy: -0.414
local terms energy: -218.604957
where:
bonds (distance) C4'-P energy: -44.555
bonds (distance) P-C4' energy: -38.222
flat angles C4'-P-C4' energy: -46.791
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -60.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -625.944481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.944481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.944481 (E_RNA)
where:
Base-Base interactions energy: -429.004
where: short stacking energy: -161.435
Base-Backbone interact. energy: -0.518
local terms energy: -196.422643
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -40.019
flat angles C4'-P-C4' energy: -40.260
flat angles P-C4'-P energy: -25.470
tors. eta vs tors. theta energy: -47.106
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: 7
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -603.786753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.786753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.786753 (E_RNA)
where:
Base-Base interactions energy: -407.369
where: short stacking energy: -189.543
Base-Backbone interact. energy: -0.745
local terms energy: -195.673496
where:
bonds (distance) C4'-P energy: -42.242
bonds (distance) P-C4' energy: -39.791
flat angles C4'-P-C4' energy: -45.619
flat angles P-C4'-P energy: -22.114
tors. eta vs tors. theta energy: -45.908
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: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -507.040851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.040851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.040851 (E_RNA)
where:
Base-Base interactions energy: -327.999
where: short stacking energy: -154.002
Base-Backbone interact. energy: -0.110
local terms energy: -178.931320
where:
bonds (distance) C4'-P energy: -38.291
bonds (distance) P-C4' energy: -37.881
flat angles C4'-P-C4' energy: -39.929
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -42.993
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: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -412.909752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.909752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.909752 (E_RNA)
where:
Base-Base interactions energy: -252.799
where: short stacking energy: -126.681
Base-Backbone interact. energy: -1.604
local terms energy: -158.506193
where:
bonds (distance) C4'-P energy: -40.634
bonds (distance) P-C4' energy: -32.300
flat angles C4'-P-C4' energy: -29.597
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -31.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -363.542868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.542868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.542868 (E_RNA)
where:
Base-Base interactions energy: -201.490
where: short stacking energy: -91.854
Base-Backbone interact. energy: -1.666
local terms energy: -160.386691
where:
bonds (distance) C4'-P energy: -40.922
bonds (distance) P-C4' energy: -40.478
flat angles C4'-P-C4' energy: -38.875
flat angles P-C4'-P energy: -25.152
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -199.751027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.751027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.751027 (E_RNA)
where:
Base-Base interactions energy: -77.420
where: short stacking energy: -64.091
Base-Backbone interact. energy: -0.844
local terms energy: -121.487812
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -38.807
flat angles C4'-P-C4' energy: -42.818
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: 0.903
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: 2
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -753.163821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.163821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.163821 (E_RNA)
where:
Base-Base interactions energy: -520.892
where: short stacking energy: -229.252
Base-Backbone interact. energy: -0.667
local terms energy: -231.605296
where:
bonds (distance) C4'-P energy: -40.470
bonds (distance) P-C4' energy: -44.017
flat angles C4'-P-C4' energy: -49.908
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -66.575
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: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -712.783141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.783141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.783141 (E_RNA)
where:
Base-Base interactions energy: -486.497
where: short stacking energy: -204.622
Base-Backbone interact. energy: -2.656
local terms energy: -223.629708
where:
bonds (distance) C4'-P energy: -44.166
bonds (distance) P-C4' energy: -43.866
flat angles C4'-P-C4' energy: -43.681
flat angles P-C4'-P energy: -34.039
tors. eta vs tors. theta energy: -57.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -712.850477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.850477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.850477 (E_RNA)
where:
Base-Base interactions energy: -484.412
where: short stacking energy: -226.095
Base-Backbone interact. energy: -0.941
local terms energy: -227.498032
where:
bonds (distance) C4'-P energy: -41.945
bonds (distance) P-C4' energy: -42.232
flat angles C4'-P-C4' energy: -50.124
flat angles P-C4'-P energy: -32.333
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: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -671.591582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.591582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.591582 (E_RNA)
where:
Base-Base interactions energy: -439.203
where: short stacking energy: -203.974
Base-Backbone interact. energy: -0.279
local terms energy: -232.108792
where:
bonds (distance) C4'-P energy: -44.339
bonds (distance) P-C4' energy: -49.132
flat angles C4'-P-C4' energy: -44.765
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -59.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -601.455428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.455428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.455428 (E_RNA)
where:
Base-Base interactions energy: -397.688
where: short stacking energy: -189.679
Base-Backbone interact. energy: -0.526
local terms energy: -203.240922
where:
bonds (distance) C4'-P energy: -42.099
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -51.396
flat angles P-C4'-P energy: -30.707
tors. eta vs tors. theta energy: -51.773
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: 6, replica: 3
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -629.951838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.951838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.951838 (E_RNA)
where:
Base-Base interactions energy: -434.333
where: short stacking energy: -174.190
Base-Backbone interact. energy: -0.978
local terms energy: -194.640381
where:
bonds (distance) C4'-P energy: -45.731
bonds (distance) P-C4' energy: -33.383
flat angles C4'-P-C4' energy: -40.501
flat angles P-C4'-P energy: -30.517
tors. eta vs tors. theta energy: -44.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -498.166623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.166623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.166623 (E_RNA)
where:
Base-Base interactions energy: -323.886
where: short stacking energy: -138.304
Base-Backbone interact. energy: 1.234
local terms energy: -175.515165
where:
bonds (distance) C4'-P energy: -46.519
bonds (distance) P-C4' energy: -32.795
flat angles C4'-P-C4' energy: -31.739
flat angles P-C4'-P energy: -29.081
tors. eta vs tors. theta energy: -35.381
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: 8, replica: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -394.513868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.513868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.513868 (E_RNA)
where:
Base-Base interactions energy: -244.175
where: short stacking energy: -116.437
Base-Backbone interact. energy: -1.414
local terms energy: -148.924801
where:
bonds (distance) C4'-P energy: -29.337
bonds (distance) P-C4' energy: -33.682
flat angles C4'-P-C4' energy: -35.642
flat angles P-C4'-P energy: -30.005
tors. eta vs tors. theta energy: -20.260
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: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -332.875842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.875842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.875842 (E_RNA)
where:
Base-Base interactions energy: -183.958
where: short stacking energy: -96.701
Base-Backbone interact. energy: 0.106
local terms energy: -149.023828
where:
bonds (distance) C4'-P energy: -36.656
bonds (distance) P-C4' energy: -33.998
flat angles C4'-P-C4' energy: -36.854
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -13.123
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: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -177.550857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.550857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.550857 (E_RNA)
where:
Base-Base interactions energy: -45.766
where: short stacking energy: -39.968
Base-Backbone interact. energy: 5.392
local terms energy: -137.177070
where:
bonds (distance) C4'-P energy: -31.451
bonds (distance) P-C4' energy: -47.277
flat angles C4'-P-C4' energy: -49.526
flat angles P-C4'-P energy: -22.795
tors. eta vs tors. theta energy: 13.872
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: 1, replica: 2
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -750.185907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.185907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.185907 (E_RNA)
where:
Base-Base interactions energy: -511.501
where: short stacking energy: -217.874
Base-Backbone interact. energy: -1.206
local terms energy: -237.478999
where:
bonds (distance) C4'-P energy: -45.020
bonds (distance) P-C4' energy: -45.869
flat angles C4'-P-C4' energy: -49.546
flat angles P-C4'-P energy: -32.197
tors. eta vs tors. theta energy: -64.846
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: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -738.695326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.695326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.695326 (E_RNA)
where:
Base-Base interactions energy: -507.656
where: short stacking energy: -233.953
Base-Backbone interact. energy: 5.329
local terms energy: -236.368400
where:
bonds (distance) C4'-P energy: -37.763
bonds (distance) P-C4' energy: -40.301
flat angles C4'-P-C4' energy: -50.878
flat angles P-C4'-P energy: -41.801
tors. eta vs tors. theta energy: -65.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -712.644493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.644493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.644493 (E_RNA)
where:
Base-Base interactions energy: -494.743
where: short stacking energy: -201.878
Base-Backbone interact. energy: -0.298
local terms energy: -217.603475
where:
bonds (distance) C4'-P energy: -42.540
bonds (distance) P-C4' energy: -33.877
flat angles C4'-P-C4' energy: -49.439
flat angles P-C4'-P energy: -32.158
tors. eta vs tors. theta energy: -59.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -667.759537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.759537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.759537 (E_RNA)
where:
Base-Base interactions energy: -447.351
where: short stacking energy: -224.142
Base-Backbone interact. energy: -0.441
local terms energy: -219.968042
where:
bonds (distance) C4'-P energy: -40.292
bonds (distance) P-C4' energy: -38.407
flat angles C4'-P-C4' energy: -41.473
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -65.269
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: 7
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -580.323312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.323312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.323312 (E_RNA)
where:
Base-Base interactions energy: -387.292
where: short stacking energy: -182.515
Base-Backbone interact. energy: 0.767
local terms energy: -193.798914
where:
bonds (distance) C4'-P energy: -38.008
bonds (distance) P-C4' energy: -41.753
flat angles C4'-P-C4' energy: -39.312
flat angles P-C4'-P energy: -28.703
tors. eta vs tors. theta energy: -46.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -614.822689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.822689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.822689 (E_RNA)
where:
Base-Base interactions energy: -429.869
where: short stacking energy: -174.494
Base-Backbone interact. energy: -1.109
local terms energy: -183.845167
where:
bonds (distance) C4'-P energy: -40.807
bonds (distance) P-C4' energy: -35.672
flat angles C4'-P-C4' energy: -39.475
flat angles P-C4'-P energy: -23.702
tors. eta vs tors. theta energy: -44.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -480.342685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.342685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.342685 (E_RNA)
where:
Base-Base interactions energy: -309.105
where: short stacking energy: -140.400
Base-Backbone interact. energy: -0.748
local terms energy: -170.489034
where:
bonds (distance) C4'-P energy: -31.893
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -26.803
tors. eta vs tors. theta energy: -33.234
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: 8, replica: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -418.859324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.859324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.859324 (E_RNA)
where:
Base-Base interactions energy: -266.155
where: short stacking energy: -125.329
Base-Backbone interact. energy: 0.362
local terms energy: -153.066145
where:
bonds (distance) C4'-P energy: -34.860
bonds (distance) P-C4' energy: -40.186
flat angles C4'-P-C4' energy: -35.540
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -391.430060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.430060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.430060 (E_RNA)
where:
Base-Base interactions energy: -253.353
where: short stacking energy: -132.749
Base-Backbone interact. energy: -0.681
local terms energy: -137.395909
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -34.808
flat angles C4'-P-C4' energy: -22.819
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -224.396185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.396185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.396185 (E_RNA)
where:
Base-Base interactions energy: -99.291
where: short stacking energy: -62.208
Base-Backbone interact. energy: 0.524
local terms energy: -125.629286
where:
bonds (distance) C4'-P energy: -43.207
bonds (distance) P-C4' energy: -31.218
flat angles C4'-P-C4' energy: -32.251
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: 3.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -757.509963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.509963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.509963 (E_RNA)
where:
Base-Base interactions energy: -515.884
where: short stacking energy: -220.244
Base-Backbone interact. energy: -1.162
local terms energy: -240.464760
where:
bonds (distance) C4'-P energy: -43.958
bonds (distance) P-C4' energy: -41.532
flat angles C4'-P-C4' energy: -52.946
flat angles P-C4'-P energy: -33.642
tors. eta vs tors. theta energy: -68.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -728.027564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.027564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.027564 (E_RNA)
where:
Base-Base interactions energy: -495.563
where: short stacking energy: -225.596
Base-Backbone interact. energy: -1.115
local terms energy: -231.349190
where:
bonds (distance) C4'-P energy: -39.534
bonds (distance) P-C4' energy: -41.735
flat angles C4'-P-C4' energy: -54.752
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -66.983
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: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -656.200610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.200610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.200610 (E_RNA)
where:
Base-Base interactions energy: -433.361
where: short stacking energy: -210.941
Base-Backbone interact. energy: 0.153
local terms energy: -222.992569
where:
bonds (distance) C4'-P energy: -35.314
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -42.743
flat angles P-C4'-P energy: -32.608
tors. eta vs tors. theta energy: -64.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -694.533637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.533637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.533637 (E_RNA)
where:
Base-Base interactions energy: -481.470
where: short stacking energy: -190.082
Base-Backbone interact. energy: -0.819
local terms energy: -212.244785
where:
bonds (distance) C4'-P energy: -41.963
bonds (distance) P-C4' energy: -44.833
flat angles C4'-P-C4' energy: -47.514
flat angles P-C4'-P energy: -26.103
tors. eta vs tors. theta energy: -51.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -607.275273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.275273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.275273 (E_RNA)
where:
Base-Base interactions energy: -410.774
where: short stacking energy: -181.857
Base-Backbone interact. energy: 1.099
local terms energy: -197.600320
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -43.862
flat angles C4'-P-C4' energy: -35.740
flat angles P-C4'-P energy: -30.322
tors. eta vs tors. theta energy: -49.240
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: 364
Temperature: 1.150000
Total energy: -524.643164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.643164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.643164 (E_RNA)
where:
Base-Base interactions energy: -352.559
where: short stacking energy: -141.735
Base-Backbone interact. energy: -0.400
local terms energy: -171.684187
where:
bonds (distance) C4'-P energy: -43.688
bonds (distance) P-C4' energy: -37.707
flat angles C4'-P-C4' energy: -33.438
flat angles P-C4'-P energy: -30.016
tors. eta vs tors. theta energy: -26.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -421.165514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.165514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.165514 (E_RNA)
where:
Base-Base interactions energy: -258.458
where: short stacking energy: -127.322
Base-Backbone interact. energy: -0.246
local terms energy: -162.461537
where:
bonds (distance) C4'-P energy: -30.617
bonds (distance) P-C4' energy: -43.919
flat angles C4'-P-C4' energy: -39.921
flat angles P-C4'-P energy: -23.608
tors. eta vs tors. theta energy: -24.397
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: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -489.660097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.660097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.660097 (E_RNA)
where:
Base-Base interactions energy: -301.670
where: short stacking energy: -131.461
Base-Backbone interact. energy: -0.438
local terms energy: -187.552695
where:
bonds (distance) C4'-P energy: -48.905
bonds (distance) P-C4' energy: -35.691
flat angles C4'-P-C4' energy: -39.293
flat angles P-C4'-P energy: -28.183
tors. eta vs tors. theta energy: -35.481
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: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -375.915220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.915220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.915220 (E_RNA)
where:
Base-Base interactions energy: -220.787
where: short stacking energy: -107.524
Base-Backbone interact. energy: -0.935
local terms energy: -154.194049
where:
bonds (distance) C4'-P energy: -39.691
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -44.433
flat angles P-C4'-P energy: -18.087
tors. eta vs tors. theta energy: -22.642
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: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -211.910628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.910628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.910628 (E_RNA)
where:
Base-Base interactions energy: -89.112
where: short stacking energy: -64.870
Base-Backbone interact. energy: -0.573
local terms energy: -122.224696
where:
bonds (distance) C4'-P energy: -36.518
bonds (distance) P-C4' energy: -32.637
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -24.125
tors. eta vs tors. theta energy: 1.566
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: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -762.667190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.667190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.667190 (E_RNA)
where:
Base-Base interactions energy: -520.891
where: short stacking energy: -229.479
Base-Backbone interact. energy: -0.449
local terms energy: -241.326891
where:
bonds (distance) C4'-P energy: -44.301
bonds (distance) P-C4' energy: -41.195
flat angles C4'-P-C4' energy: -49.014
flat angles P-C4'-P energy: -40.985
tors. eta vs tors. theta energy: -65.831
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: 2, replica: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -680.262706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.262706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.262706 (E_RNA)
where:
Base-Base interactions energy: -447.889
where: short stacking energy: -197.848
Base-Backbone interact. energy: -0.060
local terms energy: -232.313914
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -45.079
flat angles C4'-P-C4' energy: -47.321
flat angles P-C4'-P energy: -35.920
tors. eta vs tors. theta energy: -58.886
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: 3, replica: 4
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -721.107930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.107930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.107930 (E_RNA)
where:
Base-Base interactions energy: -500.504
where: short stacking energy: -204.344
Base-Backbone interact. energy: -0.695
local terms energy: -219.908914
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -43.541
flat angles C4'-P-C4' energy: -43.915
flat angles P-C4'-P energy: -31.756
tors. eta vs tors. theta energy: -56.494
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: 4, replica: 5
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -687.147636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.147636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.147636 (E_RNA)
where:
Base-Base interactions energy: -486.805
where: short stacking energy: -201.555
Base-Backbone interact. energy: -0.191
local terms energy: -200.152011
where:
bonds (distance) C4'-P energy: -21.927
bonds (distance) P-C4' energy: -40.810
flat angles C4'-P-C4' energy: -50.966
flat angles P-C4'-P energy: -29.674
tors. eta vs tors. theta energy: -56.776
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: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -599.836294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.836294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.836294 (E_RNA)
where:
Base-Base interactions energy: -408.137
where: short stacking energy: -186.882
Base-Backbone interact. energy: -0.775
local terms energy: -190.923873
where:
bonds (distance) C4'-P energy: -40.924
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -43.983
flat angles P-C4'-P energy: -28.611
tors. eta vs tors. theta energy: -47.075
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: 6, replica: 7
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -540.286613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.286613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.286613 (E_RNA)
where:
Base-Base interactions energy: -356.188
where: short stacking energy: -174.293
Base-Backbone interact. energy: 0.827
local terms energy: -184.926513
where:
bonds (distance) C4'-P energy: -37.619
bonds (distance) P-C4' energy: -38.632
flat angles C4'-P-C4' energy: -31.746
flat angles P-C4'-P energy: -30.153
tors. eta vs tors. theta energy: -46.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -427.596626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.596626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.596626 (E_RNA)
where:
Base-Base interactions energy: -265.619
where: short stacking energy: -141.402
Base-Backbone interact. energy: -0.460
local terms energy: -161.517862
where:
bonds (distance) C4'-P energy: -38.437
bonds (distance) P-C4' energy: -43.130
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -24.753
tors. eta vs tors. theta energy: -29.799
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: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -485.232919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.232919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.232919 (E_RNA)
where:
Base-Base interactions energy: -303.943
where: short stacking energy: -151.539
Base-Backbone interact. energy: -0.106
local terms energy: -181.183771
where:
bonds (distance) C4'-P energy: -38.917
bonds (distance) P-C4' energy: -43.116
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -38.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -326.991453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.991453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.991453 (E_RNA)
where:
Base-Base interactions energy: -179.643
where: short stacking energy: -99.950
Base-Backbone interact. energy: -1.768
local terms energy: -145.580399
where:
bonds (distance) C4'-P energy: -29.989
bonds (distance) P-C4' energy: -29.690
flat angles C4'-P-C4' energy: -42.345
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -20.400
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: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -195.941491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.941491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.941491 (E_RNA)
where:
Base-Base interactions energy: -85.704
where: short stacking energy: -50.953
Base-Backbone interact. energy: -0.454
local terms energy: -109.783605
where:
bonds (distance) C4'-P energy: -33.708
bonds (distance) P-C4' energy: -40.367
flat angles C4'-P-C4' energy: -30.198
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: 1.856
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: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -747.481044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.481044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.481044 (E_RNA)
where:
Base-Base interactions energy: -521.147
where: short stacking energy: -225.378
Base-Backbone interact. energy: -0.632
local terms energy: -225.702331
where:
bonds (distance) C4'-P energy: -37.614
bonds (distance) P-C4' energy: -36.728
flat angles C4'-P-C4' energy: -49.476
flat angles P-C4'-P energy: -37.891
tors. eta vs tors. theta energy: -63.993
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: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -691.739816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.739816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.739816 (E_RNA)
where:
Base-Base interactions energy: -463.320
where: short stacking energy: -208.465
Base-Backbone interact. energy: -0.799
local terms energy: -227.621141
where:
bonds (distance) C4'-P energy: -45.999
bonds (distance) P-C4' energy: -43.886
flat angles C4'-P-C4' energy: -39.968
flat angles P-C4'-P energy: -37.398
tors. eta vs tors. theta energy: -60.371
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: 5
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -709.615191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.615191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.615191 (E_RNA)
where:
Base-Base interactions energy: -487.555
where: short stacking energy: -222.132
Base-Backbone interact. energy: -0.064
local terms energy: -221.996809
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -47.065
flat angles C4'-P-C4' energy: -46.029
flat angles P-C4'-P energy: -24.924
tors. eta vs tors. theta energy: -66.893
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: 4, replica: 4
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -705.708812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.708812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.708812 (E_RNA)
where:
Base-Base interactions energy: -479.388
where: short stacking energy: -198.950
Base-Backbone interact. energy: -0.138
local terms energy: -226.182520
where:
bonds (distance) C4'-P energy: -47.118
bonds (distance) P-C4' energy: -35.646
flat angles C4'-P-C4' energy: -51.937
flat angles P-C4'-P energy: -35.284
tors. eta vs tors. theta energy: -56.198
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: 7
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -628.714687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.714687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.714687 (E_RNA)
where:
Base-Base interactions energy: -428.458
where: short stacking energy: -188.705
Base-Backbone interact. energy: 0.652
local terms energy: -200.907819
where:
bonds (distance) C4'-P energy: -38.208
bonds (distance) P-C4' energy: -36.586
flat angles C4'-P-C4' energy: -45.079
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -55.498
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: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -544.956338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.956338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.956338 (E_RNA)
where:
Base-Base interactions energy: -356.045
where: short stacking energy: -166.033
Base-Backbone interact. energy: -1.386
local terms energy: -187.525660
where:
bonds (distance) C4'-P energy: -37.805
bonds (distance) P-C4' energy: -38.236
flat angles C4'-P-C4' energy: -39.793
flat angles P-C4'-P energy: -30.863
tors. eta vs tors. theta energy: -40.829
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: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -514.530168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.530168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.530168 (E_RNA)
where:
Base-Base interactions energy: -329.682
where: short stacking energy: -162.693
Base-Backbone interact. energy: -1.295
local terms energy: -183.552870
where:
bonds (distance) C4'-P energy: -36.114
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -41.589
flat angles P-C4'-P energy: -27.037
tors. eta vs tors. theta energy: -42.852
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: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -413.303728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.303728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.303728 (E_RNA)
where:
Base-Base interactions energy: -264.319
where: short stacking energy: -130.266
Base-Backbone interact. energy: 0.086
local terms energy: -149.070963
where:
bonds (distance) C4'-P energy: -34.973
bonds (distance) P-C4' energy: -33.809
flat angles C4'-P-C4' energy: -35.327
flat angles P-C4'-P energy: -16.387
tors. eta vs tors. theta energy: -28.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -354.233047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.233047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.233047 (E_RNA)
where:
Base-Base interactions energy: -189.650
where: short stacking energy: -96.823
Base-Backbone interact. energy: -0.367
local terms energy: -164.216022
where:
bonds (distance) C4'-P energy: -37.924
bonds (distance) P-C4' energy: -39.704
flat angles C4'-P-C4' energy: -37.761
flat angles P-C4'-P energy: -35.827
tors. eta vs tors. theta energy: -13.001
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: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -195.627484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.627484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.627484 (E_RNA)
where:
Base-Base interactions energy: -63.286
where: short stacking energy: -51.440
Base-Backbone interact. energy: 1.894
local terms energy: -134.235345
where:
bonds (distance) C4'-P energy: -31.505
bonds (distance) P-C4' energy: -47.598
flat angles C4'-P-C4' energy: -37.501
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: 6.426
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: 1, replica: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -772.179281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.179281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.179281 (E_RNA)
where:
Base-Base interactions energy: -540.079
where: short stacking energy: -226.680
Base-Backbone interact. energy: -0.413
local terms energy: -231.687248
where:
bonds (distance) C4'-P energy: -43.004
bonds (distance) P-C4' energy: -45.952
flat angles C4'-P-C4' energy: -45.426
flat angles P-C4'-P energy: -31.382
tors. eta vs tors. theta energy: -65.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -737.818027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.818027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.818027 (E_RNA)
where:
Base-Base interactions energy: -495.973
where: short stacking energy: -228.132
Base-Backbone interact. energy: -2.407
local terms energy: -239.437853
where:
bonds (distance) C4'-P energy: -43.128
bonds (distance) P-C4' energy: -43.616
flat angles C4'-P-C4' energy: -50.913
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -68.910
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: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -686.558092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.558092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.558092 (E_RNA)
where:
Base-Base interactions energy: -468.636
where: short stacking energy: -218.680
Base-Backbone interact. energy: -1.130
local terms energy: -216.792393
where:
bonds (distance) C4'-P energy: -41.400
bonds (distance) P-C4' energy: -37.241
flat angles C4'-P-C4' energy: -41.964
flat angles P-C4'-P energy: -31.376
tors. eta vs tors. theta energy: -64.812
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: 4, replica: 4
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -715.846086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.846086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.846086 (E_RNA)
where:
Base-Base interactions energy: -500.382
where: short stacking energy: -219.489
Base-Backbone interact. energy: -1.146
local terms energy: -214.317844
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -35.531
flat angles C4'-P-C4' energy: -46.183
flat angles P-C4'-P energy: -32.149
tors. eta vs tors. theta energy: -64.254
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: 7
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -615.611429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.611429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.611429 (E_RNA)
where:
Base-Base interactions energy: -417.786
where: short stacking energy: -177.277
Base-Backbone interact. energy: 1.774
local terms energy: -199.598858
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -40.791
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -51.915
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: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -541.194417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.194417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.194417 (E_RNA)
where:
Base-Base interactions energy: -359.091
where: short stacking energy: -154.610
Base-Backbone interact. energy: -0.403
local terms energy: -181.700593
where:
bonds (distance) C4'-P energy: -31.977
bonds (distance) P-C4' energy: -36.116
flat angles C4'-P-C4' energy: -45.682
flat angles P-C4'-P energy: -29.838
tors. eta vs tors. theta energy: -38.087
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: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -499.149297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.149297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.149297 (E_RNA)
where:
Base-Base interactions energy: -310.990
where: short stacking energy: -150.354
Base-Backbone interact. energy: -0.635
local terms energy: -187.524663
where:
bonds (distance) C4'-P energy: -41.885
bonds (distance) P-C4' energy: -41.867
flat angles C4'-P-C4' energy: -46.433
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -36.190
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: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -402.388033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.388033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.388033 (E_RNA)
where:
Base-Base interactions energy: -249.872
where: short stacking energy: -130.296
Base-Backbone interact. energy: 5.822
local terms energy: -158.337994
where:
bonds (distance) C4'-P energy: -34.065
bonds (distance) P-C4' energy: -37.501
flat angles C4'-P-C4' energy: -38.102
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -32.049
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: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -332.537828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.537828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.537828 (E_RNA)
where:
Base-Base interactions energy: -173.070
where: short stacking energy: -102.202
Base-Backbone interact. energy: -0.164
local terms energy: -159.304163
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -38.550
flat angles C4'-P-C4' energy: -37.813
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -17.760
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: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -206.828405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.828405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.828405 (E_RNA)
where:
Base-Base interactions energy: -71.299
where: short stacking energy: -59.422
Base-Backbone interact. energy: -1.417
local terms energy: -134.112156
where:
bonds (distance) C4'-P energy: -37.722
bonds (distance) P-C4' energy: -35.135
flat angles C4'-P-C4' energy: -35.148
flat angles P-C4'-P energy: -30.225
tors. eta vs tors. theta energy: 4.118
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: 1, replica: 2
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -754.113794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.113794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.113794 (E_RNA)
where:
Base-Base interactions energy: -530.295
where: short stacking energy: -222.347
Base-Backbone interact. energy: -1.192
local terms energy: -222.626284
where:
bonds (distance) C4'-P energy: -39.021
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -45.530
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -61.937
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: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -726.652004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.652004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.652004 (E_RNA)
where:
Base-Base interactions energy: -507.272
where: short stacking energy: -220.699
Base-Backbone interact. energy: -1.742
local terms energy: -217.638111
where:
bonds (distance) C4'-P energy: -36.686
bonds (distance) P-C4' energy: -29.283
flat angles C4'-P-C4' energy: -51.040
flat angles P-C4'-P energy: -33.852
tors. eta vs tors. theta energy: -66.778
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: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -729.815798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.815798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.815798 (E_RNA)
where:
Base-Base interactions energy: -504.621
where: short stacking energy: -222.668
Base-Backbone interact. energy: -1.484
local terms energy: -223.711193
where:
bonds (distance) C4'-P energy: -40.677
bonds (distance) P-C4' energy: -42.850
flat angles C4'-P-C4' energy: -44.561
flat angles P-C4'-P energy: -32.064
tors. eta vs tors. theta energy: -63.560
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: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -656.977764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.977764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.977764 (E_RNA)
where:
Base-Base interactions energy: -456.425
where: short stacking energy: -209.589
Base-Backbone interact. energy: -0.557
local terms energy: -199.995320
where:
bonds (distance) C4'-P energy: -35.987
bonds (distance) P-C4' energy: -34.675
flat angles C4'-P-C4' energy: -47.424
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -59.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -619.398092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.398092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.398092 (E_RNA)
where:
Base-Base interactions energy: -428.475
where: short stacking energy: -201.593
Base-Backbone interact. energy: -1.554
local terms energy: -189.369019
where:
bonds (distance) C4'-P energy: -42.957
bonds (distance) P-C4' energy: -23.618
flat angles C4'-P-C4' energy: -38.704
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -54.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -545.233127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.233127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.233127 (E_RNA)
where:
Base-Base interactions energy: -358.852
where: short stacking energy: -171.035
Base-Backbone interact. energy: -1.203
local terms energy: -185.178525
where:
bonds (distance) C4'-P energy: -34.879
bonds (distance) P-C4' energy: -42.803
flat angles C4'-P-C4' energy: -43.837
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -41.594
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -505.107893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.107893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.107893 (E_RNA)
where:
Base-Base interactions energy: -329.859
where: short stacking energy: -162.818
Base-Backbone interact. energy: 0.042
local terms energy: -175.291056
where:
bonds (distance) C4'-P energy: -28.496
bonds (distance) P-C4' energy: -37.148
flat angles C4'-P-C4' energy: -41.983
flat angles P-C4'-P energy: -31.138
tors. eta vs tors. theta energy: -36.526
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: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -406.778064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.778064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.778064 (E_RNA)
where:
Base-Base interactions energy: -242.443
where: short stacking energy: -127.108
Base-Backbone interact. energy: -0.430
local terms energy: -163.905087
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -37.778
flat angles C4'-P-C4' energy: -35.592
flat angles P-C4'-P energy: -29.905
tors. eta vs tors. theta energy: -23.933
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: 368
Temperature: 1.300000
Total energy: -345.596835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.596835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.596835 (E_RNA)
where:
Base-Base interactions energy: -207.768
where: short stacking energy: -109.044
Base-Backbone interact. energy: -0.196
local terms energy: -137.633150
where:
bonds (distance) C4'-P energy: -27.026
bonds (distance) P-C4' energy: -38.432
flat angles C4'-P-C4' energy: -30.294
flat angles P-C4'-P energy: -30.504
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -219.711869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.711869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.711869 (E_RNA)
where:
Base-Base interactions energy: -97.892
where: short stacking energy: -62.923
Base-Backbone interact. energy: 2.085
local terms energy: -123.904758
where:
bonds (distance) C4'-P energy: -34.549
bonds (distance) P-C4' energy: -26.507
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -28.894
tors. eta vs tors. theta energy: -2.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -737.518109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.518109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.518109 (E_RNA)
where:
Base-Base interactions energy: -511.620
where: short stacking energy: -215.509
Base-Backbone interact. energy: -0.559
local terms energy: -225.338797
where:
bonds (distance) C4'-P energy: -41.165
bonds (distance) P-C4' energy: -42.368
flat angles C4'-P-C4' energy: -53.374
flat angles P-C4'-P energy: -32.595
tors. eta vs tors. theta energy: -55.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -730.509284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.509284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.509284 (E_RNA)
where:
Base-Base interactions energy: -506.785
where: short stacking energy: -229.988
Base-Backbone interact. energy: -2.138
local terms energy: -221.586734
where:
bonds (distance) C4'-P energy: -42.652
bonds (distance) P-C4' energy: -39.625
flat angles C4'-P-C4' energy: -44.878
flat angles P-C4'-P energy: -36.504
tors. eta vs tors. theta energy: -57.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -711.020467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.020467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.020467 (E_RNA)
where:
Base-Base interactions energy: -476.670
where: short stacking energy: -213.192
Base-Backbone interact. energy: -0.197
local terms energy: -234.152993
where:
bonds (distance) C4'-P energy: -39.794
bonds (distance) P-C4' energy: -46.410
flat angles C4'-P-C4' energy: -49.717
flat angles P-C4'-P energy: -33.586
tors. eta vs tors. theta energy: -64.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -632.147994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.147994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.147994 (E_RNA)
where:
Base-Base interactions energy: -414.086
where: short stacking energy: -207.652
Base-Backbone interact. energy: 0.688
local terms energy: -218.749559
where:
bonds (distance) C4'-P energy: -39.292
bonds (distance) P-C4' energy: -42.899
flat angles C4'-P-C4' energy: -51.152
flat angles P-C4'-P energy: -31.141
tors. eta vs tors. theta energy: -54.265
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: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -635.642812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.642812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.642812 (E_RNA)
where:
Base-Base interactions energy: -418.528
where: short stacking energy: -192.239
Base-Backbone interact. energy: -1.046
local terms energy: -216.068287
where:
bonds (distance) C4'-P energy: -40.417
bonds (distance) P-C4' energy: -44.712
flat angles C4'-P-C4' energy: -45.912
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -56.748
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: 3
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -538.657459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.657459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.657459 (E_RNA)
where:
Base-Base interactions energy: -348.541
where: short stacking energy: -163.512
Base-Backbone interact. energy: 2.973
local terms energy: -193.089983
where:
bonds (distance) C4'-P energy: -40.475
bonds (distance) P-C4' energy: -44.677
flat angles C4'-P-C4' energy: -44.415
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -34.681
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: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -501.693394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.693394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.693394 (E_RNA)
where:
Base-Base interactions energy: -307.887
where: short stacking energy: -139.711
Base-Backbone interact. energy: -0.010
local terms energy: -193.796317
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -43.812
flat angles C4'-P-C4' energy: -43.122
flat angles P-C4'-P energy: -29.431
tors. eta vs tors. theta energy: -39.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -372.680626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.680626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.680626 (E_RNA)
where:
Base-Base interactions energy: -209.048
where: short stacking energy: -117.887
Base-Backbone interact. energy: -0.324
local terms energy: -163.308263
where:
bonds (distance) C4'-P energy: -34.316
bonds (distance) P-C4' energy: -43.721
flat angles C4'-P-C4' energy: -36.164
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -20.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -380.306028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.306028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.306028 (E_RNA)
where:
Base-Base interactions energy: -230.247
where: short stacking energy: -115.775
Base-Backbone interact. energy: 0.794
local terms energy: -150.853847
where:
bonds (distance) C4'-P energy: -46.024
bonds (distance) P-C4' energy: -26.945
flat angles C4'-P-C4' energy: -30.272
flat angles P-C4'-P energy: -29.759
tors. eta vs tors. theta energy: -17.854
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: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -226.949277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.949277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.949277 (E_RNA)
where:
Base-Base interactions energy: -102.621
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.480
local terms energy: -123.848104
where:
bonds (distance) C4'-P energy: -31.166
bonds (distance) P-C4' energy: -35.757
flat angles C4'-P-C4' energy: -29.154
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: -8.152
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: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -755.203466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.203466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.203466 (E_RNA)
where:
Base-Base interactions energy: -514.952
where: short stacking energy: -228.606
Base-Backbone interact. energy: -1.180
local terms energy: -239.070870
where:
bonds (distance) C4'-P energy: -41.127
bonds (distance) P-C4' energy: -47.484
flat angles C4'-P-C4' energy: -52.571
flat angles P-C4'-P energy: -35.541
tors. eta vs tors. theta energy: -62.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -715.692927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.692927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.692927 (E_RNA)
where:
Base-Base interactions energy: -500.872
where: short stacking energy: -212.901
Base-Backbone interact. energy: 0.512
local terms energy: -215.332196
where:
bonds (distance) C4'-P energy: -38.731
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -45.081
flat angles P-C4'-P energy: -33.488
tors. eta vs tors. theta energy: -61.581
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: 5
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -721.715855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.715855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.715855 (E_RNA)
where:
Base-Base interactions energy: -497.677
where: short stacking energy: -211.654
Base-Backbone interact. energy: -0.055
local terms energy: -223.984746
where:
bonds (distance) C4'-P energy: -33.812
bonds (distance) P-C4' energy: -46.931
flat angles C4'-P-C4' energy: -46.455
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -66.336
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: 4, replica: 7
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -629.637316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.637316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.637316 (E_RNA)
where:
Base-Base interactions energy: -425.946
where: short stacking energy: -193.448
Base-Backbone interact. energy: -3.647
local terms energy: -200.044427
where:
bonds (distance) C4'-P energy: -42.035
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -39.442
flat angles P-C4'-P energy: -29.985
tors. eta vs tors. theta energy: -49.617
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: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -633.488001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.488001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.488001 (E_RNA)
where:
Base-Base interactions energy: -413.568
where: short stacking energy: -206.655
Base-Backbone interact. energy: -0.432
local terms energy: -219.487838
where:
bonds (distance) C4'-P energy: -48.355
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -26.426
tors. eta vs tors. theta energy: -58.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -549.325440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.325440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.325440 (E_RNA)
where:
Base-Base interactions energy: -355.571
where: short stacking energy: -179.686
Base-Backbone interact. energy: 0.408
local terms energy: -194.162785
where:
bonds (distance) C4'-P energy: -40.532
bonds (distance) P-C4' energy: -44.092
flat angles C4'-P-C4' energy: -35.430
flat angles P-C4'-P energy: -34.048
tors. eta vs tors. theta energy: -40.061
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: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -508.975829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.975829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.975829 (E_RNA)
where:
Base-Base interactions energy: -342.938
where: short stacking energy: -166.294
Base-Backbone interact. energy: -0.983
local terms energy: -165.055521
where:
bonds (distance) C4'-P energy: -32.170
bonds (distance) P-C4' energy: -33.641
flat angles C4'-P-C4' energy: -39.721
flat angles P-C4'-P energy: -22.309
tors. eta vs tors. theta energy: -37.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -356.541891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.541891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.541891 (E_RNA)
where:
Base-Base interactions energy: -204.406
where: short stacking energy: -110.666
Base-Backbone interact. energy: -0.232
local terms energy: -151.903537
where:
bonds (distance) C4'-P energy: -37.726
bonds (distance) P-C4' energy: -44.305
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -21.476
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: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -406.282329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.282329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.282329 (E_RNA)
where:
Base-Base interactions energy: -256.989
where: short stacking energy: -130.009
Base-Backbone interact. energy: -1.389
local terms energy: -147.904482
where:
bonds (distance) C4'-P energy: -39.295
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -29.417
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -25.036
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: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -197.424179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.424179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.424179 (E_RNA)
where:
Base-Base interactions energy: -71.869
where: short stacking energy: -57.005
Base-Backbone interact. energy: 1.294
local terms energy: -126.848441
where:
bonds (distance) C4'-P energy: -30.451
bonds (distance) P-C4' energy: -40.070
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -25.439
tors. eta vs tors. theta energy: -4.147
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: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -755.043984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.043984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.043984 (E_RNA)
where:
Base-Base interactions energy: -520.340
where: short stacking energy: -225.971
Base-Backbone interact. energy: -0.975
local terms energy: -233.728429
where:
bonds (distance) C4'-P energy: -38.365
bonds (distance) P-C4' energy: -50.619
flat angles C4'-P-C4' energy: -52.557
flat angles P-C4'-P energy: -30.385
tors. eta vs tors. theta energy: -61.802
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: 2, replica: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -727.395024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.395024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.395024 (E_RNA)
where:
Base-Base interactions energy: -490.249
where: short stacking energy: -218.191
Base-Backbone interact. energy: 2.022
local terms energy: -239.167536
where:
bonds (distance) C4'-P energy: -43.714
bonds (distance) P-C4' energy: -40.284
flat angles C4'-P-C4' energy: -49.641
flat angles P-C4'-P energy: -36.929
tors. eta vs tors. theta energy: -68.600
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: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -712.354573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.354573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.354573 (E_RNA)
where:
Base-Base interactions energy: -500.664
where: short stacking energy: -213.273
Base-Backbone interact. energy: -1.459
local terms energy: -210.231314
where:
bonds (distance) C4'-P energy: -36.608
bonds (distance) P-C4' energy: -35.644
flat angles C4'-P-C4' energy: -41.584
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -58.927
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: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -642.299120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.299120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.299120 (E_RNA)
where:
Base-Base interactions energy: -436.913
where: short stacking energy: -201.055
Base-Backbone interact. energy: 0.891
local terms energy: -206.277377
where:
bonds (distance) C4'-P energy: -46.751
bonds (distance) P-C4' energy: -32.107
flat angles C4'-P-C4' energy: -47.567
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -55.538
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: 7
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -598.260315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.260315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.260315 (E_RNA)
where:
Base-Base interactions energy: -405.002
where: short stacking energy: -185.552
Base-Backbone interact. energy: -2.410
local terms energy: -190.848966
where:
bonds (distance) C4'-P energy: -40.478
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -40.132
flat angles P-C4'-P energy: -20.730
tors. eta vs tors. theta energy: -48.691
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: 6, replica: 6
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -519.836172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.836172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.836172 (E_RNA)
where:
Base-Base interactions energy: -344.927
where: short stacking energy: -171.098
Base-Backbone interact. energy: 2.267
local terms energy: -177.176449
where:
bonds (distance) C4'-P energy: -41.922
bonds (distance) P-C4' energy: -38.668
flat angles C4'-P-C4' energy: -34.028
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -41.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -519.451739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.451739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.451739 (E_RNA)
where:
Base-Base interactions energy: -319.326
where: short stacking energy: -160.827
Base-Backbone interact. energy: -0.032
local terms energy: -200.094156
where:
bonds (distance) C4'-P energy: -48.265
bonds (distance) P-C4' energy: -44.715
flat angles C4'-P-C4' energy: -40.746
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -46.479
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: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -370.969756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.969756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.969756 (E_RNA)
where:
Base-Base interactions energy: -234.363
where: short stacking energy: -110.454
Base-Backbone interact. energy: -0.457
local terms energy: -136.149790
where:
bonds (distance) C4'-P energy: -28.535
bonds (distance) P-C4' energy: -34.521
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -29.614
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -324.058463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.058463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.058463 (E_RNA)
where:
Base-Base interactions energy: -185.575
where: short stacking energy: -87.270
Base-Backbone interact. energy: 1.730
local terms energy: -140.213724
where:
bonds (distance) C4'-P energy: -23.541
bonds (distance) P-C4' energy: -46.677
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -28.259
tors. eta vs tors. theta energy: -5.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -195.306563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.306563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.306563 (E_RNA)
where:
Base-Base interactions energy: -73.866
where: short stacking energy: -69.017
Base-Backbone interact. energy: 1.505
local terms energy: -122.945201
where:
bonds (distance) C4'-P energy: -40.092
bonds (distance) P-C4' energy: -39.102
flat angles C4'-P-C4' energy: -25.933
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -1.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -731.407254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.407254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.407254 (E_RNA)
where:
Base-Base interactions energy: -505.541
where: short stacking energy: -224.466
Base-Backbone interact. energy: -1.666
local terms energy: -224.200342
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -42.213
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -62.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -757.641514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.641514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.641514 (E_RNA)
where:
Base-Base interactions energy: -516.147
where: short stacking energy: -222.573
Base-Backbone interact. energy: -1.673
local terms energy: -239.821441
where:
bonds (distance) C4'-P energy: -40.622
bonds (distance) P-C4' energy: -48.170
flat angles C4'-P-C4' energy: -49.608
flat angles P-C4'-P energy: -34.096
tors. eta vs tors. theta energy: -67.325
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: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -701.311572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.311572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.311572 (E_RNA)
where:
Base-Base interactions energy: -481.724
where: short stacking energy: -207.636
Base-Backbone interact. energy: -0.162
local terms energy: -219.425672
where:
bonds (distance) C4'-P energy: -40.020
bonds (distance) P-C4' energy: -48.425
flat angles C4'-P-C4' energy: -50.718
flat angles P-C4'-P energy: -20.526
tors. eta vs tors. theta energy: -59.737
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: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -649.047379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.047379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.047379 (E_RNA)
where:
Base-Base interactions energy: -420.449
where: short stacking energy: -194.371
Base-Backbone interact. energy: -0.839
local terms energy: -227.758552
where:
bonds (distance) C4'-P energy: -45.546
bonds (distance) P-C4' energy: -45.177
flat angles C4'-P-C4' energy: -47.849
flat angles P-C4'-P energy: -34.745
tors. eta vs tors. theta energy: -54.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -585.684995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.684995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.684995 (E_RNA)
where:
Base-Base interactions energy: -395.475
where: short stacking energy: -174.957
Base-Backbone interact. energy: -1.592
local terms energy: -188.618025
where:
bonds (distance) C4'-P energy: -39.957
bonds (distance) P-C4' energy: -37.772
flat angles C4'-P-C4' energy: -39.960
flat angles P-C4'-P energy: -29.102
tors. eta vs tors. theta energy: -41.827
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: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -530.432680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.432680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.432680 (E_RNA)
where:
Base-Base interactions energy: -336.666
where: short stacking energy: -144.465
Base-Backbone interact. energy: -0.909
local terms energy: -192.857023
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -38.915
flat angles C4'-P-C4' energy: -44.450
flat angles P-C4'-P energy: -30.418
tors. eta vs tors. theta energy: -36.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -502.974718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.974718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.974718 (E_RNA)
where:
Base-Base interactions energy: -330.163
where: short stacking energy: -163.291
Base-Backbone interact. energy: -0.774
local terms energy: -172.037606
where:
bonds (distance) C4'-P energy: -32.511
bonds (distance) P-C4' energy: -37.052
flat angles C4'-P-C4' energy: -45.447
flat angles P-C4'-P energy: -23.021
tors. eta vs tors. theta energy: -34.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -394.139121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.139121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.139121 (E_RNA)
where:
Base-Base interactions energy: -211.005
where: short stacking energy: -113.199
Base-Backbone interact. energy: 0.239
local terms energy: -183.373009
where:
bonds (distance) C4'-P energy: -46.335
bonds (distance) P-C4' energy: -43.430
flat angles C4'-P-C4' energy: -42.392
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -28.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -329.192233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.192233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.192233 (E_RNA)
where:
Base-Base interactions energy: -194.471
where: short stacking energy: -101.023
Base-Backbone interact. energy: -0.496
local terms energy: -134.225850
where:
bonds (distance) C4'-P energy: -36.514
bonds (distance) P-C4' energy: -33.617
flat angles C4'-P-C4' energy: -32.772
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -5.502
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: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -237.422927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.422927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.422927 (E_RNA)
where:
Base-Base interactions energy: -126.071
where: short stacking energy: -77.161
Base-Backbone interact. energy: 0.851
local terms energy: -112.203130
where:
bonds (distance) C4'-P energy: -24.670
bonds (distance) P-C4' energy: -40.378
flat angles C4'-P-C4' energy: -29.568
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: 6.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -738.503998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.503998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.503998 (E_RNA)
where:
Base-Base interactions energy: -513.278
where: short stacking energy: -225.171
Base-Backbone interact. energy: -1.528
local terms energy: -223.697809
where:
bonds (distance) C4'-P energy: -42.439
bonds (distance) P-C4' energy: -43.409
flat angles C4'-P-C4' energy: -45.325
flat angles P-C4'-P energy: -34.243
tors. eta vs tors. theta energy: -58.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -712.137833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.137833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.137833 (E_RNA)
where:
Base-Base interactions energy: -510.156
where: short stacking energy: -208.741
Base-Backbone interact. energy: -0.366
local terms energy: -201.615518
where:
bonds (distance) C4'-P energy: -35.987
bonds (distance) P-C4' energy: -32.818
flat angles C4'-P-C4' energy: -48.249
flat angles P-C4'-P energy: -28.664
tors. eta vs tors. theta energy: -55.899
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: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -719.760124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.760124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.760124 (E_RNA)
where:
Base-Base interactions energy: -487.814
where: short stacking energy: -220.512
Base-Backbone interact. energy: -0.151
local terms energy: -231.795805
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -39.608
flat angles C4'-P-C4' energy: -45.852
flat angles P-C4'-P energy: -34.676
tors. eta vs tors. theta energy: -70.249
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: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -651.840510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.840510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.840510 (E_RNA)
where:
Base-Base interactions energy: -436.378
where: short stacking energy: -213.422
Base-Backbone interact. energy: -0.067
local terms energy: -215.396024
where:
bonds (distance) C4'-P energy: -37.894
bonds (distance) P-C4' energy: -37.490
flat angles C4'-P-C4' energy: -46.997
flat angles P-C4'-P energy: -27.691
tors. eta vs tors. theta energy: -65.325
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: 5, replica: 7
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -612.898459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.898459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.898459 (E_RNA)
where:
Base-Base interactions energy: -413.384
where: short stacking energy: -187.154
Base-Backbone interact. energy: 0.886
local terms energy: -200.399736
where:
bonds (distance) C4'-P energy: -40.934
bonds (distance) P-C4' energy: -39.416
flat angles C4'-P-C4' energy: -48.101
flat angles P-C4'-P energy: -22.230
tors. eta vs tors. theta energy: -49.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -544.212041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.212041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.212041 (E_RNA)
where:
Base-Base interactions energy: -340.012
where: short stacking energy: -155.426
Base-Backbone interact. energy: -0.883
local terms energy: -203.316420
where:
bonds (distance) C4'-P energy: -41.746
bonds (distance) P-C4' energy: -39.134
flat angles C4'-P-C4' energy: -48.240
flat angles P-C4'-P energy: -28.765
tors. eta vs tors. theta energy: -45.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -525.430776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.430776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.430776 (E_RNA)
where:
Base-Base interactions energy: -348.741
where: short stacking energy: -174.405
Base-Backbone interact. energy: -0.400
local terms energy: -176.289244
where:
bonds (distance) C4'-P energy: -29.802
bonds (distance) P-C4' energy: -36.463
flat angles C4'-P-C4' energy: -39.009
flat angles P-C4'-P energy: -25.339
tors. eta vs tors. theta energy: -45.675
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: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -368.748477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.748477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.748477 (E_RNA)
where:
Base-Base interactions energy: -209.620
where: short stacking energy: -116.218
Base-Backbone interact. energy: -1.028
local terms energy: -158.099986
where:
bonds (distance) C4'-P energy: -33.628
bonds (distance) P-C4' energy: -43.434
flat angles C4'-P-C4' energy: -44.168
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -24.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -349.496146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.496146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.496146 (E_RNA)
where:
Base-Base interactions energy: -198.511
where: short stacking energy: -109.529
Base-Backbone interact. energy: -0.697
local terms energy: -150.287377
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -40.358
flat angles C4'-P-C4' energy: -39.627
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -19.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -234.193456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.193456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.193456 (E_RNA)
where:
Base-Base interactions energy: -126.056
where: short stacking energy: -71.458
Base-Backbone interact. energy: -0.313
local terms energy: -107.824664
where:
bonds (distance) C4'-P energy: -37.831
bonds (distance) P-C4' energy: -33.639
flat angles C4'-P-C4' energy: -24.839
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: 5.504
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: 1, replica: 4
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -734.899787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.899787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.899787 (E_RNA)
where:
Base-Base interactions energy: -502.336
where: short stacking energy: -222.298
Base-Backbone interact. energy: -3.028
local terms energy: -229.535958
where:
bonds (distance) C4'-P energy: -40.280
bonds (distance) P-C4' energy: -51.301
flat angles C4'-P-C4' energy: -49.008
flat angles P-C4'-P energy: -27.866
tors. eta vs tors. theta energy: -61.082
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: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -716.181042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.181042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.181042 (E_RNA)
where:
Base-Base interactions energy: -505.272
where: short stacking energy: -205.779
Base-Backbone interact. energy: -0.166
local terms energy: -210.742533
where:
bonds (distance) C4'-P energy: -40.018
bonds (distance) P-C4' energy: -37.968
flat angles C4'-P-C4' energy: -47.804
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -57.854
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: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -716.369383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.369383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.369383 (E_RNA)
where:
Base-Base interactions energy: -482.101
where: short stacking energy: -219.025
Base-Backbone interact. energy: -0.523
local terms energy: -233.746147
where:
bonds (distance) C4'-P energy: -42.619
bonds (distance) P-C4' energy: -42.435
flat angles C4'-P-C4' energy: -51.041
flat angles P-C4'-P energy: -34.283
tors. eta vs tors. theta energy: -63.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -625.449146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.449146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.449146 (E_RNA)
where:
Base-Base interactions energy: -410.774
where: short stacking energy: -194.352
Base-Backbone interact. energy: -0.574
local terms energy: -214.100909
where:
bonds (distance) C4'-P energy: -42.663
bonds (distance) P-C4' energy: -47.064
flat angles C4'-P-C4' energy: -43.679
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -52.096
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: 5, replica: 7
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -611.895960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.895960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.895960 (E_RNA)
where:
Base-Base interactions energy: -412.440
where: short stacking energy: -184.517
Base-Backbone interact. energy: -2.877
local terms energy: -196.578697
where:
bonds (distance) C4'-P energy: -43.300
bonds (distance) P-C4' energy: -42.962
flat angles C4'-P-C4' energy: -37.917
flat angles P-C4'-P energy: -27.800
tors. eta vs tors. theta energy: -44.601
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: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -534.711128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.711128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.711128 (E_RNA)
where:
Base-Base interactions energy: -353.390
where: short stacking energy: -164.220
Base-Backbone interact. energy: -1.542
local terms energy: -179.778604
where:
bonds (distance) C4'-P energy: -34.996
bonds (distance) P-C4' energy: -37.333
flat angles C4'-P-C4' energy: -43.336
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -40.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -461.797725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.797725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.797725 (E_RNA)
where:
Base-Base interactions energy: -296.568
where: short stacking energy: -122.557
Base-Backbone interact. energy: -0.524
local terms energy: -164.705645
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -39.232
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -28.344
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: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -375.928524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.928524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.928524 (E_RNA)
where:
Base-Base interactions energy: -207.027
where: short stacking energy: -112.742
Base-Backbone interact. energy: -0.601
local terms energy: -168.300082
where:
bonds (distance) C4'-P energy: -41.470
bonds (distance) P-C4' energy: -37.817
flat angles C4'-P-C4' energy: -35.297
flat angles P-C4'-P energy: -27.414
tors. eta vs tors. theta energy: -26.303
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: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -350.345358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.345358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.345358 (E_RNA)
where:
Base-Base interactions energy: -193.586
where: short stacking energy: -110.500
Base-Backbone interact. energy: -1.936
local terms energy: -154.823710
where:
bonds (distance) C4'-P energy: -35.067
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -34.171
tors. eta vs tors. theta energy: -14.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -237.759482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.759482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.759482 (E_RNA)
where:
Base-Base interactions energy: -124.635
where: short stacking energy: -86.500
Base-Backbone interact. energy: 1.415
local terms energy: -114.538726
where:
bonds (distance) C4'-P energy: -30.762
bonds (distance) P-C4' energy: -33.124
flat angles C4'-P-C4' energy: -23.785
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -11.843
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: 4
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -729.819710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.819710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.819710 (E_RNA)
where:
Base-Base interactions energy: -500.457
where: short stacking energy: -220.989
Base-Backbone interact. energy: -1.991
local terms energy: -227.370981
where:
bonds (distance) C4'-P energy: -37.245
bonds (distance) P-C4' energy: -46.830
flat angles C4'-P-C4' energy: -50.962
flat angles P-C4'-P energy: -34.235
tors. eta vs tors. theta energy: -58.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -718.728139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.728139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.728139 (E_RNA)
where:
Base-Base interactions energy: -497.751
where: short stacking energy: -215.960
Base-Backbone interact. energy: -0.357
local terms energy: -220.619436
where:
bonds (distance) C4'-P energy: -42.382
bonds (distance) P-C4' energy: -33.942
flat angles C4'-P-C4' energy: -44.678
flat angles P-C4'-P energy: -38.381
tors. eta vs tors. theta energy: -61.236
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: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -705.322658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.322658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.322658 (E_RNA)
where:
Base-Base interactions energy: -466.163
where: short stacking energy: -213.215
Base-Backbone interact. energy: -0.647
local terms energy: -238.512597
where:
bonds (distance) C4'-P energy: -43.593
bonds (distance) P-C4' energy: -47.924
flat angles C4'-P-C4' energy: -50.378
flat angles P-C4'-P energy: -33.517
tors. eta vs tors. theta energy: -63.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -606.075766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.075766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.075766 (E_RNA)
where:
Base-Base interactions energy: -405.845
where: short stacking energy: -176.745
Base-Backbone interact. energy: -1.485
local terms energy: -198.745314
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -43.912
flat angles P-C4'-P energy: -26.744
tors. eta vs tors. theta energy: -50.811
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: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -624.379749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.379749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.379749 (E_RNA)
where:
Base-Base interactions energy: -411.775
where: short stacking energy: -178.981
Base-Backbone interact. energy: -0.120
local terms energy: -212.484566
where:
bonds (distance) C4'-P energy: -47.552
bonds (distance) P-C4' energy: -44.579
flat angles C4'-P-C4' energy: -42.253
flat angles P-C4'-P energy: -26.647
tors. eta vs tors. theta energy: -51.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -564.395970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.395970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.395970 (E_RNA)
where:
Base-Base interactions energy: -355.848
where: short stacking energy: -171.756
Base-Backbone interact. energy: -0.653
local terms energy: -207.895582
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -42.093
flat angles P-C4'-P energy: -33.093
tors. eta vs tors. theta energy: -51.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -476.966498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.966498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.966498 (E_RNA)
where:
Base-Base interactions energy: -294.776
where: short stacking energy: -142.322
Base-Backbone interact. energy: -3.346
local terms energy: -178.844774
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -37.911
flat angles C4'-P-C4' energy: -43.394
flat angles P-C4'-P energy: -26.563
tors. eta vs tors. theta energy: -37.075
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: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -368.148110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.148110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.148110 (E_RNA)
where:
Base-Base interactions energy: -206.671
where: short stacking energy: -108.425
Base-Backbone interact. energy: -1.801
local terms energy: -159.675214
where:
bonds (distance) C4'-P energy: -27.601
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -42.355
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: -23.389
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: 8
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -391.646863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.646863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.646863 (E_RNA)
where:
Base-Base interactions energy: -239.691
where: short stacking energy: -108.297
Base-Backbone interact. energy: -0.213
local terms energy: -151.742517
where:
bonds (distance) C4'-P energy: -37.958
bonds (distance) P-C4' energy: -39.185
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -185.187180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.187180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.187180 (E_RNA)
where:
Base-Base interactions energy: -71.027
where: short stacking energy: -48.491
Base-Backbone interact. energy: -1.242
local terms energy: -112.918242
where:
bonds (distance) C4'-P energy: -37.753
bonds (distance) P-C4' energy: -38.316
flat angles C4'-P-C4' energy: -33.903
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: 12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -742.086268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.086268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.086268 (E_RNA)
where:
Base-Base interactions energy: -507.667
where: short stacking energy: -211.854
Base-Backbone interact. energy: 1.781
local terms energy: -236.200292
where:
bonds (distance) C4'-P energy: -36.215
bonds (distance) P-C4' energy: -49.433
flat angles C4'-P-C4' energy: -53.510
flat angles P-C4'-P energy: -31.276
tors. eta vs tors. theta energy: -65.766
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: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -711.210292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.210292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.210292 (E_RNA)
where:
Base-Base interactions energy: -490.134
where: short stacking energy: -213.675
Base-Backbone interact. energy: -0.014
local terms energy: -221.062398
where:
bonds (distance) C4'-P energy: -39.579
bonds (distance) P-C4' energy: -44.859
flat angles C4'-P-C4' energy: -47.689
flat angles P-C4'-P energy: -30.716
tors. eta vs tors. theta energy: -58.219
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: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -704.162388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.162388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.162388 (E_RNA)
where:
Base-Base interactions energy: -473.835
where: short stacking energy: -210.486
Base-Backbone interact. energy: -1.381
local terms energy: -228.946521
where:
bonds (distance) C4'-P energy: -41.865
bonds (distance) P-C4' energy: -43.083
flat angles C4'-P-C4' energy: -47.934
flat angles P-C4'-P energy: -33.387
tors. eta vs tors. theta energy: -62.677
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: 376
Temperature: 1.050000
Total energy: -636.754618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.754618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.754618 (E_RNA)
where:
Base-Base interactions energy: -432.754
where: short stacking energy: -179.938
Base-Backbone interact. energy: -0.456
local terms energy: -203.544586
where:
bonds (distance) C4'-P energy: -39.589
bonds (distance) P-C4' energy: -49.568
flat angles C4'-P-C4' energy: -48.683
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -48.437
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: 5, replica: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -582.570975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.570975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.570975 (E_RNA)
where:
Base-Base interactions energy: -373.082
where: short stacking energy: -180.564
Base-Backbone interact. energy: -0.709
local terms energy: -208.780330
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -33.163
flat angles C4'-P-C4' energy: -44.328
flat angles P-C4'-P energy: -29.950
tors. eta vs tors. theta energy: -56.416
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: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -588.101089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.101089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.101089 (E_RNA)
where:
Base-Base interactions energy: -403.018
where: short stacking energy: -181.460
Base-Backbone interact. energy: -0.761
local terms energy: -184.322929
where:
bonds (distance) C4'-P energy: -34.229
bonds (distance) P-C4' energy: -33.739
flat angles C4'-P-C4' energy: -38.522
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -53.146
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: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -496.807442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.807442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.807442 (E_RNA)
where:
Base-Base interactions energy: -319.485
where: short stacking energy: -154.099
Base-Backbone interact. energy: 0.162
local terms energy: -177.484179
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -38.485
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: -38.610
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: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -368.524115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.524115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.524115 (E_RNA)
where:
Base-Base interactions energy: -218.877
where: short stacking energy: -118.837
Base-Backbone interact. energy: -0.321
local terms energy: -149.325993
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -34.281
flat angles C4'-P-C4' energy: -33.306
flat angles P-C4'-P energy: -26.281
tors. eta vs tors. theta energy: -15.980
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: 8
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -407.653701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.653701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.653701 (E_RNA)
where:
Base-Base interactions energy: -244.519
where: short stacking energy: -119.414
Base-Backbone interact. energy: -0.775
local terms energy: -162.359674
where:
bonds (distance) C4'-P energy: -34.289
bonds (distance) P-C4' energy: -39.293
flat angles C4'-P-C4' energy: -40.505
flat angles P-C4'-P energy: -28.883
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -206.534261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.534261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.534261 (E_RNA)
where:
Base-Base interactions energy: -89.537
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.678
local terms energy: -116.319057
where:
bonds (distance) C4'-P energy: -35.544
bonds (distance) P-C4' energy: -34.269
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -757.654001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.654001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.654001 (E_RNA)
where:
Base-Base interactions energy: -511.699
where: short stacking energy: -233.583
Base-Backbone interact. energy: -0.868
local terms energy: -245.087041
where:
bonds (distance) C4'-P energy: -42.874
bonds (distance) P-C4' energy: -48.584
flat angles C4'-P-C4' energy: -51.255
flat angles P-C4'-P energy: -33.731
tors. eta vs tors. theta energy: -68.643
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: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -721.732195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.732195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.732195 (E_RNA)
where:
Base-Base interactions energy: -496.000
where: short stacking energy: -217.158
Base-Backbone interact. energy: -2.399
local terms energy: -223.333819
where:
bonds (distance) C4'-P energy: -39.989
bonds (distance) P-C4' energy: -37.139
flat angles C4'-P-C4' energy: -48.666
flat angles P-C4'-P energy: -35.903
tors. eta vs tors. theta energy: -61.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -691.632535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.632535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.632535 (E_RNA)
where:
Base-Base interactions energy: -475.059
where: short stacking energy: -215.812
Base-Backbone interact. energy: -2.728
local terms energy: -213.845499
where:
bonds (distance) C4'-P energy: -26.596
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -46.503
flat angles P-C4'-P energy: -32.018
tors. eta vs tors. theta energy: -62.176
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: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -629.464482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.464482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.464482 (E_RNA)
where:
Base-Base interactions energy: -418.841
where: short stacking energy: -184.711
Base-Backbone interact. energy: -0.111
local terms energy: -210.512521
where:
bonds (distance) C4'-P energy: -45.195
bonds (distance) P-C4' energy: -44.350
flat angles C4'-P-C4' energy: -47.533
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -47.746
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: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -572.276308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.276308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.276308 (E_RNA)
where:
Base-Base interactions energy: -365.208
where: short stacking energy: -182.583
Base-Backbone interact. energy: -1.008
local terms energy: -206.059883
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -38.446
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -57.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -599.402120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.402120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.402120 (E_RNA)
where:
Base-Base interactions energy: -400.119
where: short stacking energy: -182.222
Base-Backbone interact. energy: 4.354
local terms energy: -203.636895
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -36.568
flat angles C4'-P-C4' energy: -42.676
flat angles P-C4'-P energy: -29.181
tors. eta vs tors. theta energy: -51.256
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: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -493.211211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.211211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.211211 (E_RNA)
where:
Base-Base interactions energy: -316.908
where: short stacking energy: -139.001
Base-Backbone interact. energy: -0.935
local terms energy: -175.367535
where:
bonds (distance) C4'-P energy: -46.138
bonds (distance) P-C4' energy: -34.638
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -33.224
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: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -403.789048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.789048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.789048 (E_RNA)
where:
Base-Base interactions energy: -245.697
where: short stacking energy: -127.498
Base-Backbone interact. energy: -0.176
local terms energy: -157.916649
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -29.639
flat angles C4'-P-C4' energy: -32.369
flat angles P-C4'-P energy: -31.193
tors. eta vs tors. theta energy: -32.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -336.277234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.277234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.277234 (E_RNA)
where:
Base-Base interactions energy: -193.116
where: short stacking energy: -103.838
Base-Backbone interact. energy: -0.339
local terms energy: -142.821713
where:
bonds (distance) C4'-P energy: -40.295
bonds (distance) P-C4' energy: -40.248
flat angles C4'-P-C4' energy: -35.668
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -10.034
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: 10, replica: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -207.518142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.518142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.518142 (E_RNA)
where:
Base-Base interactions energy: -68.973
where: short stacking energy: -56.881
Base-Backbone interact. energy: -0.653
local terms energy: -137.891976
where:
bonds (distance) C4'-P energy: -40.704
bonds (distance) P-C4' energy: -41.274
flat angles C4'-P-C4' energy: -32.147
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -2.693
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: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -769.535177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.535177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.535177 (E_RNA)
where:
Base-Base interactions energy: -526.614
where: short stacking energy: -226.151
Base-Backbone interact. energy: -1.588
local terms energy: -241.332947
where:
bonds (distance) C4'-P energy: -47.647
bonds (distance) P-C4' energy: -43.802
flat angles C4'-P-C4' energy: -50.249
flat angles P-C4'-P energy: -29.175
tors. eta vs tors. theta energy: -70.460
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: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -716.672486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.672486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.672486 (E_RNA)
where:
Base-Base interactions energy: -484.208
where: short stacking energy: -216.928
Base-Backbone interact. energy: -2.284
local terms energy: -230.180460
where:
bonds (distance) C4'-P energy: -44.547
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -53.050
flat angles P-C4'-P energy: -33.042
tors. eta vs tors. theta energy: -57.529
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: 5
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -727.161805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.161805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.161805 (E_RNA)
where:
Base-Base interactions energy: -496.557
where: short stacking energy: -226.408
Base-Backbone interact. energy: -0.752
local terms energy: -229.852417
where:
bonds (distance) C4'-P energy: -37.396
bonds (distance) P-C4' energy: -47.003
flat angles C4'-P-C4' energy: -47.495
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -72.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -612.096832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.096832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.096832 (E_RNA)
where:
Base-Base interactions energy: -414.633
where: short stacking energy: -165.702
Base-Backbone interact. energy: 0.031
local terms energy: -197.494995
where:
bonds (distance) C4'-P energy: -42.933
bonds (distance) P-C4' energy: -49.259
flat angles C4'-P-C4' energy: -42.285
flat angles P-C4'-P energy: -23.905
tors. eta vs tors. theta energy: -39.113
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: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -615.177633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.177633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.177633 (E_RNA)
where:
Base-Base interactions energy: -410.438
where: short stacking energy: -200.940
Base-Backbone interact. energy: 0.684
local terms energy: -205.423828
where:
bonds (distance) C4'-P energy: -33.842
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -42.539
flat angles P-C4'-P energy: -35.737
tors. eta vs tors. theta energy: -50.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -529.067384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.067384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.067384 (E_RNA)
where:
Base-Base interactions energy: -352.453
where: short stacking energy: -153.472
Base-Backbone interact. energy: 0.981
local terms energy: -177.594937
where:
bonds (distance) C4'-P energy: -43.470
bonds (distance) P-C4' energy: -39.438
flat angles C4'-P-C4' energy: -38.201
flat angles P-C4'-P energy: -25.275
tors. eta vs tors. theta energy: -31.211
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: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -527.444910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.444910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.444910 (E_RNA)
where:
Base-Base interactions energy: -340.228
where: short stacking energy: -149.934
Base-Backbone interact. energy: 1.854
local terms energy: -189.070508
where:
bonds (distance) C4'-P energy: -42.591
bonds (distance) P-C4' energy: -39.747
flat angles C4'-P-C4' energy: -42.818
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -42.733
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: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -412.409462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.409462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.409462 (E_RNA)
where:
Base-Base interactions energy: -250.550
where: short stacking energy: -133.011
Base-Backbone interact. energy: -0.543
local terms energy: -161.316235
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -47.814
flat angles C4'-P-C4' energy: -37.673
flat angles P-C4'-P energy: -14.834
tors. eta vs tors. theta energy: -29.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -347.263910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.263910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.263910 (E_RNA)
where:
Base-Base interactions energy: -194.725
where: short stacking energy: -102.367
Base-Backbone interact. energy: -1.476
local terms energy: -151.062692
where:
bonds (distance) C4'-P energy: -35.375
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -38.812
flat angles P-C4'-P energy: -30.061
tors. eta vs tors. theta energy: -12.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -187.123136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.123136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.123136 (E_RNA)
where:
Base-Base interactions energy: -62.766
where: short stacking energy: -54.749
Base-Backbone interact. energy: 0.199
local terms energy: -124.556765
where:
bonds (distance) C4'-P energy: -44.116
bonds (distance) P-C4' energy: -38.064
flat angles C4'-P-C4' energy: -27.414
flat angles P-C4'-P energy: -16.476
tors. eta vs tors. theta energy: 1.514
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: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -755.522892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.522892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.522892 (E_RNA)
where:
Base-Base interactions energy: -522.478
where: short stacking energy: -215.176
Base-Backbone interact. energy: -0.335
local terms energy: -232.710299
where:
bonds (distance) C4'-P energy: -46.433
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -50.934
flat angles P-C4'-P energy: -28.524
tors. eta vs tors. theta energy: -64.704
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: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -728.251311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.251311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.251311 (E_RNA)
where:
Base-Base interactions energy: -507.809
where: short stacking energy: -221.708
Base-Backbone interact. energy: 5.139
local terms energy: -225.581381
where:
bonds (distance) C4'-P energy: -41.201
bonds (distance) P-C4' energy: -34.075
flat angles C4'-P-C4' energy: -52.385
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -62.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -705.812325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.812325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.812325 (E_RNA)
where:
Base-Base interactions energy: -480.214
where: short stacking energy: -210.286
Base-Backbone interact. energy: -0.421
local terms energy: -225.176928
where:
bonds (distance) C4'-P energy: -41.949
bonds (distance) P-C4' energy: -38.792
flat angles C4'-P-C4' energy: -50.569
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: -59.091
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: 4, replica: 1
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -616.301228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.301228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.301228 (E_RNA)
where:
Base-Base interactions energy: -413.393
where: short stacking energy: -194.285
Base-Backbone interact. energy: -1.136
local terms energy: -201.771812
where:
bonds (distance) C4'-P energy: -45.578
bonds (distance) P-C4' energy: -35.484
flat angles C4'-P-C4' energy: -41.815
flat angles P-C4'-P energy: -31.454
tors. eta vs tors. theta energy: -47.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -596.049192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.049192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.049192 (E_RNA)
where:
Base-Base interactions energy: -404.464
where: short stacking energy: -182.075
Base-Backbone interact. energy: -0.404
local terms energy: -191.180964
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -42.178
flat angles P-C4'-P energy: -23.910
tors. eta vs tors. theta energy: -49.262
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: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -519.359686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.359686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.359686 (E_RNA)
where:
Base-Base interactions energy: -335.245
where: short stacking energy: -152.735
Base-Backbone interact. energy: -0.583
local terms energy: -183.532113
where:
bonds (distance) C4'-P energy: -37.331
bonds (distance) P-C4' energy: -38.455
flat angles C4'-P-C4' energy: -43.628
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -41.257
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: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -486.786001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.786001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.786001 (E_RNA)
where:
Base-Base interactions energy: -313.245
where: short stacking energy: -143.802
Base-Backbone interact. energy: -0.604
local terms energy: -172.937264
where:
bonds (distance) C4'-P energy: -32.793
bonds (distance) P-C4' energy: -30.536
flat angles C4'-P-C4' energy: -42.735
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -33.917
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: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -415.879876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.879876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.879876 (E_RNA)
where:
Base-Base interactions energy: -256.055
where: short stacking energy: -119.091
Base-Backbone interact. energy: -0.346
local terms energy: -159.479392
where:
bonds (distance) C4'-P energy: -34.708
bonds (distance) P-C4' energy: -36.429
flat angles C4'-P-C4' energy: -43.631
flat angles P-C4'-P energy: -24.560
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -351.075533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.075533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.075533 (E_RNA)
where:
Base-Base interactions energy: -197.331
where: short stacking energy: -97.783
Base-Backbone interact. energy: -0.566
local terms energy: -153.178215
where:
bonds (distance) C4'-P energy: -32.052
bonds (distance) P-C4' energy: -39.743
flat angles C4'-P-C4' energy: -38.396
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -14.469
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: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -182.899984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.899984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.899984 (E_RNA)
where:
Base-Base interactions energy: -68.143
where: short stacking energy: -56.429
Base-Backbone interact. energy: -1.150
local terms energy: -113.606472
where:
bonds (distance) C4'-P energy: -31.085
bonds (distance) P-C4' energy: -38.061
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: 4.656
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: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -766.441031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.441031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.441031 (E_RNA)
where:
Base-Base interactions energy: -532.064
where: short stacking energy: -229.968
Base-Backbone interact. energy: -1.181
local terms energy: -233.195896
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -40.965
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -32.585
tors. eta vs tors. theta energy: -68.506
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: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -740.162837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.162837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.162837 (E_RNA)
where:
Base-Base interactions energy: -507.451
where: short stacking energy: -217.829
Base-Backbone interact. energy: -0.565
local terms energy: -232.146908
where:
bonds (distance) C4'-P energy: -38.196
bonds (distance) P-C4' energy: -46.293
flat angles C4'-P-C4' energy: -48.022
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -66.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -689.908906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.908906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.908906 (E_RNA)
where:
Base-Base interactions energy: -465.330
where: short stacking energy: -213.817
Base-Backbone interact. energy: 1.034
local terms energy: -225.613127
where:
bonds (distance) C4'-P energy: -39.665
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -53.129
flat angles P-C4'-P energy: -29.983
tors. eta vs tors. theta energy: -64.507
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: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -660.327954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.327954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.327954 (E_RNA)
where:
Base-Base interactions energy: -439.787
where: short stacking energy: -208.465
Base-Backbone interact. energy: -1.009
local terms energy: -219.531626
where:
bonds (distance) C4'-P energy: -37.508
bonds (distance) P-C4' energy: -39.199
flat angles C4'-P-C4' energy: -46.459
flat angles P-C4'-P energy: -31.927
tors. eta vs tors. theta energy: -64.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -580.031146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.031146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.031146 (E_RNA)
where:
Base-Base interactions energy: -383.266
where: short stacking energy: -176.937
Base-Backbone interact. energy: -0.114
local terms energy: -196.650522
where:
bonds (distance) C4'-P energy: -43.368
bonds (distance) P-C4' energy: -37.841
flat angles C4'-P-C4' energy: -38.514
flat angles P-C4'-P energy: -32.997
tors. eta vs tors. theta energy: -43.931
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: 380
Temperature: 1.150000
Total energy: -485.284078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.284078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.284078 (E_RNA)
where:
Base-Base interactions energy: -313.782
where: short stacking energy: -154.088
Base-Backbone interact. energy: 1.506
local terms energy: -173.008021
where:
bonds (distance) C4'-P energy: -36.255
bonds (distance) P-C4' energy: -43.226
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -24.720
tors. eta vs tors. theta energy: -23.510
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: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -437.289812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.289812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.289812 (E_RNA)
where:
Base-Base interactions energy: -264.152
where: short stacking energy: -137.678
Base-Backbone interact. energy: -0.336
local terms energy: -172.801764
where:
bonds (distance) C4'-P energy: -30.654
bonds (distance) P-C4' energy: -43.314
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -38.167
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: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -532.264895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.264895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.264895 (E_RNA)
where:
Base-Base interactions energy: -345.036
where: short stacking energy: -152.363
Base-Backbone interact. energy: -1.040
local terms energy: -186.188847
where:
bonds (distance) C4'-P energy: -34.230
bonds (distance) P-C4' energy: -30.923
flat angles C4'-P-C4' energy: -46.643
flat angles P-C4'-P energy: -33.985
tors. eta vs tors. theta energy: -40.408
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: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -336.969098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.969098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.969098 (E_RNA)
where:
Base-Base interactions energy: -195.846
where: short stacking energy: -98.853
Base-Backbone interact. energy: -1.871
local terms energy: -139.252737
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -43.404
flat angles C4'-P-C4' energy: -41.735
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -8.158
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: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -211.092317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.092317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.092317 (E_RNA)
where:
Base-Base interactions energy: -91.400
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.600
local terms energy: -119.092645
where:
bonds (distance) C4'-P energy: -34.814
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -32.952
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: 5.342
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: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -775.151520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.151520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.151520 (E_RNA)
where:
Base-Base interactions energy: -541.487
where: short stacking energy: -239.306
Base-Backbone interact. energy: -2.582
local terms energy: -231.083116
where:
bonds (distance) C4'-P energy: -37.409
bonds (distance) P-C4' energy: -42.357
flat angles C4'-P-C4' energy: -53.000
flat angles P-C4'-P energy: -30.206
tors. eta vs tors. theta energy: -68.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -737.008585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.008585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.008585 (E_RNA)
where:
Base-Base interactions energy: -507.662
where: short stacking energy: -222.231
Base-Backbone interact. energy: -0.429
local terms energy: -228.917674
where:
bonds (distance) C4'-P energy: -37.494
bonds (distance) P-C4' energy: -50.472
flat angles C4'-P-C4' energy: -42.730
flat angles P-C4'-P energy: -35.833
tors. eta vs tors. theta energy: -62.389
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: 3, replica: 5
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -692.891973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.891973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.891973 (E_RNA)
where:
Base-Base interactions energy: -479.435
where: short stacking energy: -214.677
Base-Backbone interact. energy: 0.897
local terms energy: -214.354383
where:
bonds (distance) C4'-P energy: -37.716
bonds (distance) P-C4' energy: -42.273
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -29.808
tors. eta vs tors. theta energy: -64.312
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: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -652.421296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.421296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.421296 (E_RNA)
where:
Base-Base interactions energy: -432.843
where: short stacking energy: -210.691
Base-Backbone interact. energy: -1.798
local terms energy: -217.780953
where:
bonds (distance) C4'-P energy: -43.475
bonds (distance) P-C4' energy: -34.718
flat angles C4'-P-C4' energy: -40.932
flat angles P-C4'-P energy: -39.956
tors. eta vs tors. theta energy: -58.701
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: 5, replica: 7
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -568.400133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.400133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.400133 (E_RNA)
where:
Base-Base interactions energy: -377.416
where: short stacking energy: -167.143
Base-Backbone interact. energy: -1.938
local terms energy: -189.046448
where:
bonds (distance) C4'-P energy: -36.324
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -37.955
flat angles P-C4'-P energy: -31.469
tors. eta vs tors. theta energy: -44.014
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: 6, replica: 3
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -477.317638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.317638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.317638 (E_RNA)
where:
Base-Base interactions energy: -300.489
where: short stacking energy: -141.540
Base-Backbone interact. energy: -1.588
local terms energy: -175.240699
where:
bonds (distance) C4'-P energy: -39.140
bonds (distance) P-C4' energy: -44.439
flat angles C4'-P-C4' energy: -40.970
flat angles P-C4'-P energy: -28.262
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: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -460.100750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.100750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.100750 (E_RNA)
where:
Base-Base interactions energy: -283.313
where: short stacking energy: -144.542
Base-Backbone interact. energy: -0.743
local terms energy: -176.044242
where:
bonds (distance) C4'-P energy: -45.271
bonds (distance) P-C4' energy: -40.705
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -16.603
tors. eta vs tors. theta energy: -34.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -509.535467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.535467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.535467 (E_RNA)
where:
Base-Base interactions energy: -324.243
where: short stacking energy: -138.861
Base-Backbone interact. energy: -2.472
local terms energy: -182.821091
where:
bonds (distance) C4'-P energy: -39.832
bonds (distance) P-C4' energy: -41.783
flat angles C4'-P-C4' energy: -42.626
flat angles P-C4'-P energy: -23.412
tors. eta vs tors. theta energy: -35.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -356.582617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.582617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.582617 (E_RNA)
where:
Base-Base interactions energy: -185.500
where: short stacking energy: -115.577
Base-Backbone interact. energy: -1.328
local terms energy: -169.754008
where:
bonds (distance) C4'-P energy: -27.381
bonds (distance) P-C4' energy: -44.052
flat angles C4'-P-C4' energy: -38.867
flat angles P-C4'-P energy: -29.880
tors. eta vs tors. theta energy: -29.574
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: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -204.994708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.994708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.994708 (E_RNA)
where:
Base-Base interactions energy: -63.356
where: short stacking energy: -42.433
Base-Backbone interact. energy: -1.045
local terms energy: -140.593928
where:
bonds (distance) C4'-P energy: -36.558
bonds (distance) P-C4' energy: -49.275
flat angles C4'-P-C4' energy: -31.279
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: 1.401
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: 1, replica: 4
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -724.123578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.123578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.123578 (E_RNA)
where:
Base-Base interactions energy: -501.704
where: short stacking energy: -215.966
Base-Backbone interact. energy: -1.353
local terms energy: -221.065944
where:
bonds (distance) C4'-P energy: -43.873
bonds (distance) P-C4' energy: -45.546
flat angles C4'-P-C4' energy: -48.042
flat angles P-C4'-P energy: -29.076
tors. eta vs tors. theta energy: -54.529
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: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -751.883266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.883266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.883266 (E_RNA)
where:
Base-Base interactions energy: -516.885
where: short stacking energy: -226.506
Base-Backbone interact. energy: -1.456
local terms energy: -233.541866
where:
bonds (distance) C4'-P energy: -46.653
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -49.281
flat angles P-C4'-P energy: -32.832
tors. eta vs tors. theta energy: -61.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -717.735959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.735959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.735959 (E_RNA)
where:
Base-Base interactions energy: -494.200
where: short stacking energy: -214.322
Base-Backbone interact. energy: 0.092
local terms energy: -223.628663
where:
bonds (distance) C4'-P energy: -46.460
bonds (distance) P-C4' energy: -36.532
flat angles C4'-P-C4' energy: -48.531
flat angles P-C4'-P energy: -33.337
tors. eta vs tors. theta energy: -58.769
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: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -656.560686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.560686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.560686 (E_RNA)
where:
Base-Base interactions energy: -449.529
where: short stacking energy: -214.170
Base-Backbone interact. energy: -0.590
local terms energy: -206.441599
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -40.855
flat angles C4'-P-C4' energy: -39.153
flat angles P-C4'-P energy: -36.398
tors. eta vs tors. theta energy: -60.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -573.935455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.935455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.935455 (E_RNA)
where:
Base-Base interactions energy: -373.439
where: short stacking energy: -176.818
Base-Backbone interact. energy: -0.462
local terms energy: -200.034334
where:
bonds (distance) C4'-P energy: -41.932
bonds (distance) P-C4' energy: -36.773
flat angles C4'-P-C4' energy: -52.279
flat angles P-C4'-P energy: -28.005
tors. eta vs tors. theta energy: -41.045
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: 3
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -511.830894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.830894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.830894 (E_RNA)
where:
Base-Base interactions energy: -348.846
where: short stacking energy: -163.806
Base-Backbone interact. energy: -0.311
local terms energy: -162.674225
where:
bonds (distance) C4'-P energy: -31.044
bonds (distance) P-C4' energy: -36.812
flat angles C4'-P-C4' energy: -41.584
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -33.911
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: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -479.382187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.382187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.382187 (E_RNA)
where:
Base-Base interactions energy: -300.940
where: short stacking energy: -149.969
Base-Backbone interact. energy: -1.231
local terms energy: -177.211167
where:
bonds (distance) C4'-P energy: -32.521
bonds (distance) P-C4' energy: -44.069
flat angles C4'-P-C4' energy: -38.991
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -33.604
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: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -417.612869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.612869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.612869 (E_RNA)
where:
Base-Base interactions energy: -278.038
where: short stacking energy: -115.219
Base-Backbone interact. energy: -0.615
local terms energy: -138.959685
where:
bonds (distance) C4'-P energy: -40.322
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -25.874
tors. eta vs tors. theta energy: -12.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -355.095136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.095136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.095136 (E_RNA)
where:
Base-Base interactions energy: -191.534
where: short stacking energy: -112.230
Base-Backbone interact. energy: 1.181
local terms energy: -164.742297
where:
bonds (distance) C4'-P energy: -38.148
bonds (distance) P-C4' energy: -36.884
flat angles C4'-P-C4' energy: -34.924
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -25.607
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: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -199.577468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.577468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.577468 (E_RNA)
where:
Base-Base interactions energy: -71.399
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.367
local terms energy: -127.811643
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -49.912
flat angles C4'-P-C4' energy: -24.543
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: 1.193
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: 4
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -760.199513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.199513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.199513 (E_RNA)
where:
Base-Base interactions energy: -532.344
where: short stacking energy: -235.950
Base-Backbone interact. energy: -1.898
local terms energy: -225.957697
where:
bonds (distance) C4'-P energy: -36.126
bonds (distance) P-C4' energy: -41.604
flat angles C4'-P-C4' energy: -54.370
flat angles P-C4'-P energy: -32.846
tors. eta vs tors. theta energy: -61.012
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: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -750.244221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.244221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.244221 (E_RNA)
where:
Base-Base interactions energy: -532.238
where: short stacking energy: -210.883
Base-Backbone interact. energy: 3.509
local terms energy: -221.515108
where:
bonds (distance) C4'-P energy: -45.242
bonds (distance) P-C4' energy: -44.723
flat angles C4'-P-C4' energy: -41.688
flat angles P-C4'-P energy: -29.804
tors. eta vs tors. theta energy: -60.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -690.696310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.696310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.696310 (E_RNA)
where:
Base-Base interactions energy: -474.647
where: short stacking energy: -215.865
Base-Backbone interact. energy: -0.185
local terms energy: -215.863651
where:
bonds (distance) C4'-P energy: -42.535
bonds (distance) P-C4' energy: -42.136
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -54.978
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: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -649.599395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.599395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.599395 (E_RNA)
where:
Base-Base interactions energy: -442.937
where: short stacking energy: -196.904
Base-Backbone interact. energy: -1.195
local terms energy: -205.467770
where:
bonds (distance) C4'-P energy: -39.077
bonds (distance) P-C4' energy: -43.015
flat angles C4'-P-C4' energy: -40.443
flat angles P-C4'-P energy: -26.526
tors. eta vs tors. theta energy: -56.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -596.331265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.331265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.331265 (E_RNA)
where:
Base-Base interactions energy: -399.579
where: short stacking energy: -188.243
Base-Backbone interact. energy: -2.735
local terms energy: -194.016710
where:
bonds (distance) C4'-P energy: -33.985
bonds (distance) P-C4' energy: -41.967
flat angles C4'-P-C4' energy: -43.325
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -50.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -512.001805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.001805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.001805 (E_RNA)
where:
Base-Base interactions energy: -317.241
where: short stacking energy: -157.197
Base-Backbone interact. energy: -1.407
local terms energy: -193.353760
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -37.308
flat angles C4'-P-C4' energy: -40.065
flat angles P-C4'-P energy: -30.113
tors. eta vs tors. theta energy: -49.242
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: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -525.565478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.565478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.565478 (E_RNA)
where:
Base-Base interactions energy: -343.252
where: short stacking energy: -158.880
Base-Backbone interact. energy: -2.479
local terms energy: -179.834164
where:
bonds (distance) C4'-P energy: -39.930
bonds (distance) P-C4' energy: -31.626
flat angles C4'-P-C4' energy: -42.607
flat angles P-C4'-P energy: -28.837
tors. eta vs tors. theta energy: -36.833
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: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -431.933668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.933668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.933668 (E_RNA)
where:
Base-Base interactions energy: -286.951
where: short stacking energy: -128.534
Base-Backbone interact. energy: -1.458
local terms energy: -143.524332
where:
bonds (distance) C4'-P energy: -31.236
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -33.839
flat angles P-C4'-P energy: -26.169
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -339.764168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.764168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.764168 (E_RNA)
where:
Base-Base interactions energy: -203.410
where: short stacking energy: -104.898
Base-Backbone interact. energy: -0.262
local terms energy: -136.092694
where:
bonds (distance) C4'-P energy: -36.792
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -24.728
tors. eta vs tors. theta energy: -5.933
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: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -214.464244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.464244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.464244 (E_RNA)
where:
Base-Base interactions energy: -85.271
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.673
local terms energy: -128.520319
where:
bonds (distance) C4'-P energy: -36.902
bonds (distance) P-C4' energy: -47.989
flat angles C4'-P-C4' energy: -34.406
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: 13.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -745.841206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.841206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.841206 (E_RNA)
where:
Base-Base interactions energy: -518.938
where: short stacking energy: -226.194
Base-Backbone interact. energy: -0.181
local terms energy: -226.721651
where:
bonds (distance) C4'-P energy: -41.594
bonds (distance) P-C4' energy: -35.295
flat angles C4'-P-C4' energy: -46.121
flat angles P-C4'-P energy: -36.247
tors. eta vs tors. theta energy: -67.464
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: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -744.978579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.978579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.978579 (E_RNA)
where:
Base-Base interactions energy: -519.661
where: short stacking energy: -214.502
Base-Backbone interact. energy: -0.242
local terms energy: -225.075689
where:
bonds (distance) C4'-P energy: -44.872
bonds (distance) P-C4' energy: -46.603
flat angles C4'-P-C4' energy: -52.059
flat angles P-C4'-P energy: -29.822
tors. eta vs tors. theta energy: -51.719
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: 5
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -693.900176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.900176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.900176 (E_RNA)
where:
Base-Base interactions energy: -469.505
where: short stacking energy: -215.923
Base-Backbone interact. energy: -0.634
local terms energy: -223.761569
where:
bonds (distance) C4'-P energy: -40.632
bonds (distance) P-C4' energy: -47.915
flat angles C4'-P-C4' energy: -44.055
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -61.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -652.554844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.554844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.554844 (E_RNA)
where:
Base-Base interactions energy: -432.460
where: short stacking energy: -207.119
Base-Backbone interact. energy: -0.187
local terms energy: -219.907641
where:
bonds (distance) C4'-P energy: -35.199
bonds (distance) P-C4' energy: -45.782
flat angles C4'-P-C4' energy: -49.395
flat angles P-C4'-P energy: -28.696
tors. eta vs tors. theta energy: -60.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -584.060178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.060178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.060178 (E_RNA)
where:
Base-Base interactions energy: -393.678
where: short stacking energy: -189.791
Base-Backbone interact. energy: -0.377
local terms energy: -190.004620
where:
bonds (distance) C4'-P energy: -40.227
bonds (distance) P-C4' energy: -30.426
flat angles C4'-P-C4' energy: -43.827
flat angles P-C4'-P energy: -26.983
tors. eta vs tors. theta energy: -48.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -556.972885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.972885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.972885 (E_RNA)
where:
Base-Base interactions energy: -363.019
where: short stacking energy: -176.758
Base-Backbone interact. energy: 0.308
local terms energy: -194.261453
where:
bonds (distance) C4'-P energy: -38.929
bonds (distance) P-C4' energy: -37.882
flat angles C4'-P-C4' energy: -38.644
flat angles P-C4'-P energy: -25.565
tors. eta vs tors. theta energy: -53.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -547.532196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.532196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.532196 (E_RNA)
where:
Base-Base interactions energy: -361.005
where: short stacking energy: -185.299
Base-Backbone interact. energy: -0.033
local terms energy: -186.494308
where:
bonds (distance) C4'-P energy: -33.081
bonds (distance) P-C4' energy: -40.344
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: -50.971
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: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -487.474608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.474608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.474608 (E_RNA)
where:
Base-Base interactions energy: -318.048
where: short stacking energy: -152.690
Base-Backbone interact. energy: -0.995
local terms energy: -168.432100
where:
bonds (distance) C4'-P energy: -30.296
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -40.727
flat angles P-C4'-P energy: -22.902
tors. eta vs tors. theta energy: -39.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -376.286151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.286151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.286151 (E_RNA)
where:
Base-Base interactions energy: -204.220
where: short stacking energy: -123.233
Base-Backbone interact. energy: 0.060
local terms energy: -172.125933
where:
bonds (distance) C4'-P energy: -43.214
bonds (distance) P-C4' energy: -40.652
flat angles C4'-P-C4' energy: -38.637
flat angles P-C4'-P energy: -22.636
tors. eta vs tors. theta energy: -26.986
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: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -202.487862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.487862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.487862 (E_RNA)
where:
Base-Base interactions energy: -75.067
where: short stacking energy: -60.446
Base-Backbone interact. energy: 2.997
local terms energy: -130.418437
where:
bonds (distance) C4'-P energy: -30.536
bonds (distance) P-C4' energy: -44.446
flat angles C4'-P-C4' energy: -43.063
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: 0.568
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: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -757.969170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.969170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.969170 (E_RNA)
where:
Base-Base interactions energy: -526.980
where: short stacking energy: -224.352
Base-Backbone interact. energy: 0.141
local terms energy: -231.130380
where:
bonds (distance) C4'-P energy: -37.521
bonds (distance) P-C4' energy: -43.494
flat angles C4'-P-C4' energy: -47.915
flat angles P-C4'-P energy: -32.201
tors. eta vs tors. theta energy: -70.000
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: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -718.325358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.325358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.325358 (E_RNA)
where:
Base-Base interactions energy: -502.542
where: short stacking energy: -209.804
Base-Backbone interact. energy: 3.751
local terms energy: -219.534347
where:
bonds (distance) C4'-P energy: -40.604
bonds (distance) P-C4' energy: -41.078
flat angles C4'-P-C4' energy: -47.594
flat angles P-C4'-P energy: -32.474
tors. eta vs tors. theta energy: -57.784
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: 385
Temperature: 1.000000
Total energy: -711.725664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.725664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.725664 (E_RNA)
where:
Base-Base interactions energy: -492.745
where: short stacking energy: -217.028
Base-Backbone interact. energy: -0.695
local terms energy: -218.285260
where:
bonds (distance) C4'-P energy: -35.410
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -46.675
flat angles P-C4'-P energy: -32.731
tors. eta vs tors. theta energy: -64.169
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: 1
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -655.405641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.405641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.405641 (E_RNA)
where:
Base-Base interactions energy: -430.890
where: short stacking energy: -213.891
Base-Backbone interact. energy: -0.465
local terms energy: -224.051113
where:
bonds (distance) C4'-P energy: -44.395
bonds (distance) P-C4' energy: -32.996
flat angles C4'-P-C4' energy: -48.453
flat angles P-C4'-P energy: -31.540
tors. eta vs tors. theta energy: -66.668
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: 385
Temperature: 1.100000
Total energy: -553.262788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.262788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.262788 (E_RNA)
where:
Base-Base interactions energy: -380.330
where: short stacking energy: -172.658
Base-Backbone interact. energy: 0.782
local terms energy: -173.715033
where:
bonds (distance) C4'-P energy: -27.950
bonds (distance) P-C4' energy: -36.696
flat angles C4'-P-C4' energy: -39.648
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: -40.962
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: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -530.883297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.883297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.883297 (E_RNA)
where:
Base-Base interactions energy: -336.749
where: short stacking energy: -161.976
Base-Backbone interact. energy: -1.111
local terms energy: -193.022991
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -35.164
flat angles C4'-P-C4' energy: -42.822
flat angles P-C4'-P energy: -29.894
tors. eta vs tors. theta energy: -43.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -477.285000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.285000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.285000 (E_RNA)
where:
Base-Base interactions energy: -302.173
where: short stacking energy: -140.937
Base-Backbone interact. energy: -0.729
local terms energy: -174.383427
where:
bonds (distance) C4'-P energy: -39.002
bonds (distance) P-C4' energy: -35.525
flat angles C4'-P-C4' energy: -42.473
flat angles P-C4'-P energy: -29.750
tors. eta vs tors. theta energy: -27.633
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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -417.427982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.427982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.427982 (E_RNA)
where:
Base-Base interactions energy: -258.080
where: short stacking energy: -110.049
Base-Backbone interact. energy: 2.522
local terms energy: -161.869889
where:
bonds (distance) C4'-P energy: -30.937
bonds (distance) P-C4' energy: -43.047
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -25.796
tors. eta vs tors. theta energy: -22.305
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: 385
Temperature: 1.300000
Total energy: -337.453461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.453461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.453461 (E_RNA)
where:
Base-Base interactions energy: -193.948
where: short stacking energy: -104.837
Base-Backbone interact. energy: -1.063
local terms energy: -142.442695
where:
bonds (distance) C4'-P energy: -36.436
bonds (distance) P-C4' energy: -32.770
flat angles C4'-P-C4' energy: -39.389
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -17.562
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: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -182.867992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.867992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.867992 (E_RNA)
where:
Base-Base interactions energy: -64.318
where: short stacking energy: -47.728
Base-Backbone interact. energy: 2.688
local terms energy: -121.237817
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -28.322
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: 0.699
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: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -743.617094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.617094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.617094 (E_RNA)
where:
Base-Base interactions energy: -517.955
where: short stacking energy: -222.809
Base-Backbone interact. energy: -1.307
local terms energy: -224.354808
where:
bonds (distance) C4'-P energy: -36.960
bonds (distance) P-C4' energy: -45.948
flat angles C4'-P-C4' energy: -45.060
flat angles P-C4'-P energy: -33.217
tors. eta vs tors. theta energy: -63.170
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: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -745.853323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.853323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.853323 (E_RNA)
where:
Base-Base interactions energy: -512.732
where: short stacking energy: -231.724
Base-Backbone interact. energy: -0.671
local terms energy: -232.449989
where:
bonds (distance) C4'-P energy: -37.161
bonds (distance) P-C4' energy: -43.645
flat angles C4'-P-C4' energy: -54.188
flat angles P-C4'-P energy: -30.308
tors. eta vs tors. theta energy: -67.149
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: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -675.427588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.427588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.427588 (E_RNA)
where:
Base-Base interactions energy: -456.281
where: short stacking energy: -223.109
Base-Backbone interact. energy: 0.570
local terms energy: -219.716121
where:
bonds (distance) C4'-P energy: -39.772
bonds (distance) P-C4' energy: -37.281
flat angles C4'-P-C4' energy: -45.630
flat angles P-C4'-P energy: -29.440
tors. eta vs tors. theta energy: -67.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -688.356389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.356389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.356389 (E_RNA)
where:
Base-Base interactions energy: -470.531
where: short stacking energy: -222.382
Base-Backbone interact. energy: -1.578
local terms energy: -216.247483
where:
bonds (distance) C4'-P energy: -43.943
bonds (distance) P-C4' energy: -39.673
flat angles C4'-P-C4' energy: -44.462
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -61.121
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: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -573.247034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.247034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.247034 (E_RNA)
where:
Base-Base interactions energy: -369.081
where: short stacking energy: -174.862
Base-Backbone interact. energy: -0.528
local terms energy: -203.637758
where:
bonds (distance) C4'-P energy: -35.912
bonds (distance) P-C4' energy: -49.950
flat angles C4'-P-C4' energy: -42.049
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -48.492
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: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -501.338920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.338920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.338920 (E_RNA)
where:
Base-Base interactions energy: -322.239
where: short stacking energy: -153.209
Base-Backbone interact. energy: 0.551
local terms energy: -179.650147
where:
bonds (distance) C4'-P energy: -40.815
bonds (distance) P-C4' energy: -36.545
flat angles C4'-P-C4' energy: -39.115
flat angles P-C4'-P energy: -27.496
tors. eta vs tors. theta energy: -35.679
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: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -501.619021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.619021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.619021 (E_RNA)
where:
Base-Base interactions energy: -310.792
where: short stacking energy: -156.128
Base-Backbone interact. energy: -0.521
local terms energy: -190.306507
where:
bonds (distance) C4'-P energy: -44.318
bonds (distance) P-C4' energy: -43.061
flat angles C4'-P-C4' energy: -42.005
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -41.302
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: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -392.743917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.743917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.743917 (E_RNA)
where:
Base-Base interactions energy: -239.574
where: short stacking energy: -115.199
Base-Backbone interact. energy: 3.293
local terms energy: -156.462908
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -46.896
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -32.870
tors. eta vs tors. theta energy: -16.127
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: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -344.222549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.222549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.222549 (E_RNA)
where:
Base-Base interactions energy: -197.966
where: short stacking energy: -113.679
Base-Backbone interact. energy: -0.147
local terms energy: -146.109959
where:
bonds (distance) C4'-P energy: -32.007
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -35.510
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -20.870
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: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -211.004131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.004131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.004131 (E_RNA)
where:
Base-Base interactions energy: -86.998
where: short stacking energy: -63.173
Base-Backbone interact. energy: 0.793
local terms energy: -124.799462
where:
bonds (distance) C4'-P energy: -28.400
bonds (distance) P-C4' energy: -37.371
flat angles C4'-P-C4' energy: -36.757
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: 0.861
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: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -742.030889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.030889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.030889 (E_RNA)
where:
Base-Base interactions energy: -495.709
where: short stacking energy: -216.836
Base-Backbone interact. energy: -1.638
local terms energy: -244.683990
where:
bonds (distance) C4'-P energy: -49.568
bonds (distance) P-C4' energy: -46.288
flat angles C4'-P-C4' energy: -50.415
flat angles P-C4'-P energy: -32.504
tors. eta vs tors. theta energy: -65.908
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: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -698.466906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.466906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.466906 (E_RNA)
where:
Base-Base interactions energy: -452.308
where: short stacking energy: -220.553
Base-Backbone interact. energy: -1.008
local terms energy: -245.151285
where:
bonds (distance) C4'-P energy: -42.216
bonds (distance) P-C4' energy: -47.628
flat angles C4'-P-C4' energy: -49.483
flat angles P-C4'-P energy: -39.961
tors. eta vs tors. theta energy: -65.863
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: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -721.753168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.753168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.753168 (E_RNA)
where:
Base-Base interactions energy: -503.834
where: short stacking energy: -216.697
Base-Backbone interact. energy: -1.752
local terms energy: -216.168055
where:
bonds (distance) C4'-P energy: -39.695
bonds (distance) P-C4' energy: -49.220
flat angles C4'-P-C4' energy: -40.572
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -57.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -707.073965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.073965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.073965 (E_RNA)
where:
Base-Base interactions energy: -483.897
where: short stacking energy: -220.780
Base-Backbone interact. energy: -1.130
local terms energy: -222.047067
where:
bonds (distance) C4'-P energy: -43.970
bonds (distance) P-C4' energy: -36.647
flat angles C4'-P-C4' energy: -46.462
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -67.811
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: 5, replica: 7
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -578.505922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.505922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.505922 (E_RNA)
where:
Base-Base interactions energy: -391.121
where: short stacking energy: -181.480
Base-Backbone interact. energy: -1.495
local terms energy: -185.890660
where:
bonds (distance) C4'-P energy: -32.203
bonds (distance) P-C4' energy: -39.584
flat angles C4'-P-C4' energy: -38.911
flat angles P-C4'-P energy: -28.410
tors. eta vs tors. theta energy: -46.782
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: 387
Temperature: 1.150000
Total energy: -523.045171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.045171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.045171 (E_RNA)
where:
Base-Base interactions energy: -328.314
where: short stacking energy: -173.066
Base-Backbone interact. energy: -2.517
local terms energy: -192.213602
where:
bonds (distance) C4'-P energy: -32.453
bonds (distance) P-C4' energy: -46.204
flat angles C4'-P-C4' energy: -41.093
flat angles P-C4'-P energy: -19.645
tors. eta vs tors. theta energy: -52.819
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: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -512.782019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.782019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.782019 (E_RNA)
where:
Base-Base interactions energy: -349.508
where: short stacking energy: -168.421
Base-Backbone interact. energy: -1.175
local terms energy: -162.099242
where:
bonds (distance) C4'-P energy: -36.224
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -43.892
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -28.942
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: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -417.036158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.036158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.036158 (E_RNA)
where:
Base-Base interactions energy: -247.581
where: short stacking energy: -116.198
Base-Backbone interact. energy: 2.594
local terms energy: -172.049356
where:
bonds (distance) C4'-P energy: -35.323
bonds (distance) P-C4' energy: -42.820
flat angles C4'-P-C4' energy: -36.595
flat angles P-C4'-P energy: -27.608
tors. eta vs tors. theta energy: -29.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -337.403655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.403655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.403655 (E_RNA)
where:
Base-Base interactions energy: -167.148
where: short stacking energy: -89.289
Base-Backbone interact. energy: -1.017
local terms energy: -169.239361
where:
bonds (distance) C4'-P energy: -48.123
bonds (distance) P-C4' energy: -43.664
flat angles C4'-P-C4' energy: -38.054
flat angles P-C4'-P energy: -23.210
tors. eta vs tors. theta energy: -16.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -202.027345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.027345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.027345 (E_RNA)
where:
Base-Base interactions energy: -75.546
where: short stacking energy: -58.764
Base-Backbone interact. energy: -0.962
local terms energy: -125.518847
where:
bonds (distance) C4'-P energy: -37.411
bonds (distance) P-C4' energy: -40.851
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: 5.862
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: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -765.900285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.900285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.900285 (E_RNA)
where:
Base-Base interactions energy: -538.246
where: short stacking energy: -228.881
Base-Backbone interact. energy: -1.041
local terms energy: -226.613798
where:
bonds (distance) C4'-P energy: -41.907
bonds (distance) P-C4' energy: -45.656
flat angles C4'-P-C4' energy: -45.496
flat angles P-C4'-P energy: -30.881
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: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -686.199073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.199073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.199073 (E_RNA)
where:
Base-Base interactions energy: -457.063
where: short stacking energy: -219.567
Base-Backbone interact. energy: -0.453
local terms energy: -228.683494
where:
bonds (distance) C4'-P energy: -39.445
bonds (distance) P-C4' energy: -42.794
flat angles C4'-P-C4' energy: -50.419
flat angles P-C4'-P energy: -29.101
tors. eta vs tors. theta energy: -66.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -704.882475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.882475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.882475 (E_RNA)
where:
Base-Base interactions energy: -477.351
where: short stacking energy: -217.006
Base-Backbone interact. energy: -1.404
local terms energy: -226.127379
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -43.166
flat angles C4'-P-C4' energy: -48.025
flat angles P-C4'-P energy: -26.411
tors. eta vs tors. theta energy: -67.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -724.426386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.426386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.426386 (E_RNA)
where:
Base-Base interactions energy: -517.007
where: short stacking energy: -204.799
Base-Backbone interact. energy: -0.593
local terms energy: -206.826053
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -40.796
flat angles C4'-P-C4' energy: -47.014
flat angles P-C4'-P energy: -24.427
tors. eta vs tors. theta energy: -58.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -566.838581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.838581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.838581 (E_RNA)
where:
Base-Base interactions energy: -383.788
where: short stacking energy: -179.351
Base-Backbone interact. energy: -0.617
local terms energy: -182.433973
where:
bonds (distance) C4'-P energy: -34.617
bonds (distance) P-C4' energy: -41.559
flat angles C4'-P-C4' energy: -34.313
flat angles P-C4'-P energy: -29.685
tors. eta vs tors. theta energy: -42.259
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: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -524.717219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.717219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.717219 (E_RNA)
where:
Base-Base interactions energy: -349.446
where: short stacking energy: -159.191
Base-Backbone interact. energy: -1.211
local terms energy: -174.059787
where:
bonds (distance) C4'-P energy: -39.614
bonds (distance) P-C4' energy: -30.461
flat angles C4'-P-C4' energy: -42.223
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: -42.237
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: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -430.513567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.513567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.513567 (E_RNA)
where:
Base-Base interactions energy: -266.893
where: short stacking energy: -132.647
Base-Backbone interact. energy: -1.328
local terms energy: -162.292249
where:
bonds (distance) C4'-P energy: -40.397
bonds (distance) P-C4' energy: -37.016
flat angles C4'-P-C4' energy: -37.257
flat angles P-C4'-P energy: -18.188
tors. eta vs tors. theta energy: -29.434
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: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -482.754064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.754064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.754064 (E_RNA)
where:
Base-Base interactions energy: -312.145
where: short stacking energy: -136.883
Base-Backbone interact. energy: -2.324
local terms energy: -168.285594
where:
bonds (distance) C4'-P energy: -43.192
bonds (distance) P-C4' energy: -36.208
flat angles C4'-P-C4' energy: -44.946
flat angles P-C4'-P energy: -21.863
tors. eta vs tors. theta energy: -22.076
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: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -337.850040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.850040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.850040 (E_RNA)
where:
Base-Base interactions energy: -186.879
where: short stacking energy: -101.417
Base-Backbone interact. energy: 1.362
local terms energy: -152.333637
where:
bonds (distance) C4'-P energy: -41.026
bonds (distance) P-C4' energy: -39.214
flat angles C4'-P-C4' energy: -39.988
flat angles P-C4'-P energy: -17.722
tors. eta vs tors. theta energy: -14.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -199.643681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.643681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.643681 (E_RNA)
where:
Base-Base interactions energy: -63.807
where: short stacking energy: -58.140
Base-Backbone interact. energy: 0.896
local terms energy: -136.733112
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -38.309
flat angles C4'-P-C4' energy: -41.422
flat angles P-C4'-P energy: -23.634
tors. eta vs tors. theta energy: 3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -756.847943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.847943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.847943 (E_RNA)
where:
Base-Base interactions energy: -511.496
where: short stacking energy: -206.261
Base-Backbone interact. energy: -2.790
local terms energy: -242.562101
where:
bonds (distance) C4'-P energy: -50.947
bonds (distance) P-C4' energy: -50.025
flat angles C4'-P-C4' energy: -45.053
flat angles P-C4'-P energy: -36.423
tors. eta vs tors. theta energy: -60.114
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: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -724.970255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.970255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.970255 (E_RNA)
where:
Base-Base interactions energy: -494.963
where: short stacking energy: -210.170
Base-Backbone interact. energy: -0.298
local terms energy: -229.709104
where:
bonds (distance) C4'-P energy: -42.957
bonds (distance) P-C4' energy: -44.397
flat angles C4'-P-C4' energy: -44.747
flat angles P-C4'-P energy: -35.960
tors. eta vs tors. theta energy: -61.649
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: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -677.329327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.329327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.329327 (E_RNA)
where:
Base-Base interactions energy: -449.706
where: short stacking energy: -209.086
Base-Backbone interact. energy: -2.288
local terms energy: -225.335631
where:
bonds (distance) C4'-P energy: -44.780
bonds (distance) P-C4' energy: -43.417
flat angles C4'-P-C4' energy: -48.121
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: -60.546
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: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -723.614926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.614926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.614926 (E_RNA)
where:
Base-Base interactions energy: -506.377
where: short stacking energy: -206.013
Base-Backbone interact. energy: -1.047
local terms energy: -216.191649
where:
bonds (distance) C4'-P energy: -40.768
bonds (distance) P-C4' energy: -43.349
flat angles C4'-P-C4' energy: -42.551
flat angles P-C4'-P energy: -28.698
tors. eta vs tors. theta energy: -60.826
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: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -610.193125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.193125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.193125 (E_RNA)
where:
Base-Base interactions energy: -427.599
where: short stacking energy: -172.607
Base-Backbone interact. energy: 3.331
local terms energy: -185.925823
where:
bonds (distance) C4'-P energy: -28.868
bonds (distance) P-C4' energy: -38.798
flat angles C4'-P-C4' energy: -40.184
flat angles P-C4'-P energy: -31.201
tors. eta vs tors. theta energy: -46.875
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: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -522.921311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.921311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.921311 (E_RNA)
where:
Base-Base interactions energy: -338.814
where: short stacking energy: -165.106
Base-Backbone interact. energy: -1.220
local terms energy: -182.887232
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -31.002
flat angles C4'-P-C4' energy: -46.319
flat angles P-C4'-P energy: -28.853
tors. eta vs tors. theta energy: -45.023
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: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -420.130667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.130667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.130667 (E_RNA)
where:
Base-Base interactions energy: -251.704
where: short stacking energy: -111.724
Base-Backbone interact. energy: 0.216
local terms energy: -168.642798
where:
bonds (distance) C4'-P energy: -38.856
bonds (distance) P-C4' energy: -41.516
flat angles C4'-P-C4' energy: -41.414
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -23.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -484.009440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.009440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.009440 (E_RNA)
where:
Base-Base interactions energy: -309.945
where: short stacking energy: -134.980
Base-Backbone interact. energy: 1.462
local terms energy: -175.525969
where:
bonds (distance) C4'-P energy: -37.132
bonds (distance) P-C4' energy: -29.505
flat angles C4'-P-C4' energy: -43.054
flat angles P-C4'-P energy: -34.520
tors. eta vs tors. theta energy: -31.315
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: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -354.902393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.902393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.902393 (E_RNA)
where:
Base-Base interactions energy: -210.456
where: short stacking energy: -125.186
Base-Backbone interact. energy: 2.495
local terms energy: -146.941734
where:
bonds (distance) C4'-P energy: -30.741
bonds (distance) P-C4' energy: -42.657
flat angles C4'-P-C4' energy: -23.995
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -27.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -209.111856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.111856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.111856 (E_RNA)
where:
Base-Base interactions energy: -65.623
where: short stacking energy: -61.722
Base-Backbone interact. energy: 0.346
local terms energy: -143.835244
where:
bonds (distance) C4'-P energy: -34.510
bonds (distance) P-C4' energy: -44.004
flat angles C4'-P-C4' energy: -48.818
flat angles P-C4'-P energy: -18.955
tors. eta vs tors. theta energy: 2.452
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: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -740.923235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.923235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.923235 (E_RNA)
where:
Base-Base interactions energy: -501.892
where: short stacking energy: -214.300
Base-Backbone interact. energy: -1.374
local terms energy: -237.656686
where:
bonds (distance) C4'-P energy: -44.106
bonds (distance) P-C4' energy: -51.301
flat angles C4'-P-C4' energy: -48.173
flat angles P-C4'-P energy: -32.587
tors. eta vs tors. theta energy: -61.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -710.388008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.388008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.388008 (E_RNA)
where:
Base-Base interactions energy: -494.992
where: short stacking energy: -214.410
Base-Backbone interact. energy: -0.362
local terms energy: -215.033928
where:
bonds (distance) C4'-P energy: -40.961
bonds (distance) P-C4' energy: -42.684
flat angles C4'-P-C4' energy: -49.521
flat angles P-C4'-P energy: -21.202
tors. eta vs tors. theta energy: -60.666
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: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -696.073089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.073089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.073089 (E_RNA)
where:
Base-Base interactions energy: -484.109
where: short stacking energy: -198.998
Base-Backbone interact. energy: -1.386
local terms energy: -210.578437
where:
bonds (distance) C4'-P energy: -42.508
bonds (distance) P-C4' energy: -39.485
flat angles C4'-P-C4' energy: -44.786
flat angles P-C4'-P energy: -31.416
tors. eta vs tors. theta energy: -52.383
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: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -651.956391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.956391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.956391 (E_RNA)
where:
Base-Base interactions energy: -436.487
where: short stacking energy: -212.505
Base-Backbone interact. energy: -0.428
local terms energy: -215.041843
where:
bonds (distance) C4'-P energy: -34.879
bonds (distance) P-C4' energy: -49.190
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -27.008
tors. eta vs tors. theta energy: -64.428
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: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -630.207146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.207146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.207146 (E_RNA)
where:
Base-Base interactions energy: -416.273
where: short stacking energy: -195.187
Base-Backbone interact. energy: -1.957
local terms energy: -211.977423
where:
bonds (distance) C4'-P energy: -37.362
bonds (distance) P-C4' energy: -41.808
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -28.194
tors. eta vs tors. theta energy: -59.308
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: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -524.882550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.882550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.882550 (E_RNA)
where:
Base-Base interactions energy: -342.807
where: short stacking energy: -159.593
Base-Backbone interact. energy: -0.913
local terms energy: -181.162674
where:
bonds (distance) C4'-P energy: -38.362
bonds (distance) P-C4' energy: -44.552
flat angles C4'-P-C4' energy: -37.665
flat angles P-C4'-P energy: -25.456
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: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -515.124141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.124141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.124141 (E_RNA)
where:
Base-Base interactions energy: -323.548
where: short stacking energy: -146.715
Base-Backbone interact. energy: -0.396
local terms energy: -191.179529
where:
bonds (distance) C4'-P energy: -32.407
bonds (distance) P-C4' energy: -46.187
flat angles C4'-P-C4' energy: -42.137
flat angles P-C4'-P energy: -29.823
tors. eta vs tors. theta energy: -40.626
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: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -419.906251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.906251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.906251 (E_RNA)
where:
Base-Base interactions energy: -258.529
where: short stacking energy: -131.210
Base-Backbone interact. energy: -0.453
local terms energy: -160.925142
where:
bonds (distance) C4'-P energy: -42.075
bonds (distance) P-C4' energy: -35.239
flat angles C4'-P-C4' energy: -34.291
flat angles P-C4'-P energy: -23.558
tors. eta vs tors. theta energy: -25.761
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: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -341.085714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.085714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.085714 (E_RNA)
where:
Base-Base interactions energy: -184.110
where: short stacking energy: -107.746
Base-Backbone interact. energy: -0.612
local terms energy: -156.363977
where:
bonds (distance) C4'-P energy: -38.139
bonds (distance) P-C4' energy: -37.051
flat angles C4'-P-C4' energy: -44.201
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -193.007281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.007281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.007281 (E_RNA)
where:
Base-Base interactions energy: -65.660
where: short stacking energy: -64.760
Base-Backbone interact. energy: 0.916
local terms energy: -128.263541
where:
bonds (distance) C4'-P energy: -41.343
bonds (distance) P-C4' energy: -37.354
flat angles C4'-P-C4' energy: -36.135
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: 5.161
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: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -749.468777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.468777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.468777 (E_RNA)
where:
Base-Base interactions energy: -511.498
where: short stacking energy: -225.490
Base-Backbone interact. energy: -0.681
local terms energy: -237.290012
where:
bonds (distance) C4'-P energy: -46.849
bonds (distance) P-C4' energy: -43.025
flat angles C4'-P-C4' energy: -43.962
flat angles P-C4'-P energy: -36.596
tors. eta vs tors. theta energy: -66.858
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: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -712.928414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.928414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.928414 (E_RNA)
where:
Base-Base interactions energy: -490.929
where: short stacking energy: -211.006
Base-Backbone interact. energy: -0.916
local terms energy: -221.083865
where:
bonds (distance) C4'-P energy: -33.328
bonds (distance) P-C4' energy: -48.925
flat angles C4'-P-C4' energy: -40.237
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -62.639
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: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -711.935757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.935757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.935757 (E_RNA)
where:
Base-Base interactions energy: -477.950
where: short stacking energy: -210.171
Base-Backbone interact. energy: -2.313
local terms energy: -231.673028
where:
bonds (distance) C4'-P energy: -44.058
bonds (distance) P-C4' energy: -38.692
flat angles C4'-P-C4' energy: -47.106
flat angles P-C4'-P energy: -33.727
tors. eta vs tors. theta energy: -68.091
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: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -606.282825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.282825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.282825 (E_RNA)
where:
Base-Base interactions energy: -414.080
where: short stacking energy: -176.112
Base-Backbone interact. energy: -0.045
local terms energy: -192.158080
where:
bonds (distance) C4'-P energy: -33.137
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -44.047
flat angles P-C4'-P energy: -33.676
tors. eta vs tors. theta energy: -39.911
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: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -638.437797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.437797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.437797 (E_RNA)
where:
Base-Base interactions energy: -424.478
where: short stacking energy: -203.311
Base-Backbone interact. energy: 0.055
local terms energy: -214.014957
where:
bonds (distance) C4'-P energy: -34.809
bonds (distance) P-C4' energy: -40.083
flat angles C4'-P-C4' energy: -49.053
flat angles P-C4'-P energy: -30.839
tors. eta vs tors. theta energy: -59.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -497.123169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.123169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.123169 (E_RNA)
where:
Base-Base interactions energy: -332.515
where: short stacking energy: -143.628
Base-Backbone interact. energy: -0.702
local terms energy: -163.906181
where:
bonds (distance) C4'-P energy: -34.310
bonds (distance) P-C4' energy: -28.132
flat angles C4'-P-C4' energy: -49.035
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: -25.503
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: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -515.315875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.315875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.315875 (E_RNA)
where:
Base-Base interactions energy: -326.131
where: short stacking energy: -161.551
Base-Backbone interact. energy: 0.315
local terms energy: -189.499835
where:
bonds (distance) C4'-P energy: -39.028
bonds (distance) P-C4' energy: -41.980
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -43.065
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: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -372.686322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.686322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.686322 (E_RNA)
where:
Base-Base interactions energy: -227.009
where: short stacking energy: -102.680
Base-Backbone interact. energy: 0.776
local terms energy: -146.453489
where:
bonds (distance) C4'-P energy: -37.426
bonds (distance) P-C4' energy: -36.816
flat angles C4'-P-C4' energy: -34.513
flat angles P-C4'-P energy: -25.099
tors. eta vs tors. theta energy: -12.600
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: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -367.507110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.507110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.507110 (E_RNA)
where:
Base-Base interactions energy: -208.660
where: short stacking energy: -125.182
Base-Backbone interact. energy: -0.577
local terms energy: -158.270180
where:
bonds (distance) C4'-P energy: -33.687
bonds (distance) P-C4' energy: -37.485
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -31.490
tors. eta vs tors. theta energy: -25.020
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: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -194.228243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.228243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.228243 (E_RNA)
where:
Base-Base interactions energy: -71.525
where: short stacking energy: -56.247
Base-Backbone interact. energy: -1.732
local terms energy: -120.970661
where:
bonds (distance) C4'-P energy: -30.978
bonds (distance) P-C4' energy: -39.710
flat angles C4'-P-C4' energy: -31.521
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -3.766
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: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -752.669498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.669498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.669498 (E_RNA)
where:
Base-Base interactions energy: -524.324
where: short stacking energy: -240.224
Base-Backbone interact. energy: -1.545
local terms energy: -226.799985
where:
bonds (distance) C4'-P energy: -43.950
bonds (distance) P-C4' energy: -42.476
flat angles C4'-P-C4' energy: -50.147
flat angles P-C4'-P energy: -25.942
tors. eta vs tors. theta energy: -64.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -741.617563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.617563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.617563 (E_RNA)
where:
Base-Base interactions energy: -518.909
where: short stacking energy: -223.468
Base-Backbone interact. energy: -0.532
local terms energy: -222.176855
where:
bonds (distance) C4'-P energy: -42.145
bonds (distance) P-C4' energy: -39.365
flat angles C4'-P-C4' energy: -46.115
flat angles P-C4'-P energy: -30.915
tors. eta vs tors. theta energy: -63.637
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: 5
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -716.932030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.932030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.932030 (E_RNA)
where:
Base-Base interactions energy: -482.777
where: short stacking energy: -215.386
Base-Backbone interact. energy: -0.340
local terms energy: -233.814573
where:
bonds (distance) C4'-P energy: -45.172
bonds (distance) P-C4' energy: -39.376
flat angles C4'-P-C4' energy: -50.126
flat angles P-C4'-P energy: -32.331
tors. eta vs tors. theta energy: -66.809
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: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -604.537752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.537752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.537752 (E_RNA)
where:
Base-Base interactions energy: -408.411
where: short stacking energy: -184.329
Base-Backbone interact. energy: -0.251
local terms energy: -195.875873
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -42.122
flat angles C4'-P-C4' energy: -37.711
flat angles P-C4'-P energy: -30.620
tors. eta vs tors. theta energy: -50.540
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: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -633.508947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.508947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.508947 (E_RNA)
where:
Base-Base interactions energy: -441.826
where: short stacking energy: -192.274
Base-Backbone interact. energy: -0.688
local terms energy: -190.994139
where:
bonds (distance) C4'-P energy: -27.978
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -31.491
tors. eta vs tors. theta energy: -58.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -515.142196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.142196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.142196 (E_RNA)
where:
Base-Base interactions energy: -337.434
where: short stacking energy: -170.517
Base-Backbone interact. energy: -0.030
local terms energy: -177.678558
where:
bonds (distance) C4'-P energy: -31.809
bonds (distance) P-C4' energy: -40.204
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -37.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -497.245473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.245473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.245473 (E_RNA)
where:
Base-Base interactions energy: -308.568
where: short stacking energy: -140.157
Base-Backbone interact. energy: -0.459
local terms energy: -188.219419
where:
bonds (distance) C4'-P energy: -30.180
bonds (distance) P-C4' energy: -46.520
flat angles C4'-P-C4' energy: -45.281
flat angles P-C4'-P energy: -33.786
tors. eta vs tors. theta energy: -32.451
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: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -425.908445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.908445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.908445 (E_RNA)
where:
Base-Base interactions energy: -254.505
where: short stacking energy: -121.661
Base-Backbone interact. energy: 1.049
local terms energy: -172.452165
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -36.220
flat angles C4'-P-C4' energy: -38.971
flat angles P-C4'-P energy: -29.244
tors. eta vs tors. theta energy: -30.022
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: 9, replica: 9
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -366.404979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.404979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.404979 (E_RNA)
where:
Base-Base interactions energy: -200.308
where: short stacking energy: -118.130
Base-Backbone interact. energy: 3.188
local terms energy: -169.284797
where:
bonds (distance) C4'-P energy: -38.140
bonds (distance) P-C4' energy: -44.922
flat angles C4'-P-C4' energy: -34.337
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -28.836
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: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -205.300706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.300706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.300706 (E_RNA)
where:
Base-Base interactions energy: -84.772
where: short stacking energy: -65.323
Base-Backbone interact. energy: -0.935
local terms energy: -119.593616
where:
bonds (distance) C4'-P energy: -25.668
bonds (distance) P-C4' energy: -37.171
flat angles C4'-P-C4' energy: -43.545
flat angles P-C4'-P energy: -12.974
tors. eta vs tors. theta energy: -0.236
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: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -750.036601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.036601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.036601 (E_RNA)
where:
Base-Base interactions energy: -514.282
where: short stacking energy: -225.213
Base-Backbone interact. energy: -2.128
local terms energy: -233.626260
where:
bonds (distance) C4'-P energy: -40.067
bonds (distance) P-C4' energy: -48.258
flat angles C4'-P-C4' energy: -46.254
flat angles P-C4'-P energy: -33.979
tors. eta vs tors. theta energy: -65.068
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: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -736.461089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.461089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.461089 (E_RNA)
where:
Base-Base interactions energy: -503.650
where: short stacking energy: -211.467
Base-Backbone interact. energy: 0.609
local terms energy: -233.420369
where:
bonds (distance) C4'-P energy: -39.321
bonds (distance) P-C4' energy: -40.515
flat angles C4'-P-C4' energy: -51.844
flat angles P-C4'-P energy: -39.780
tors. eta vs tors. theta energy: -61.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -710.749210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.749210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.749210 (E_RNA)
where:
Base-Base interactions energy: -474.854
where: short stacking energy: -211.338
Base-Backbone interact. energy: -1.501
local terms energy: -234.394382
where:
bonds (distance) C4'-P energy: -45.581
bonds (distance) P-C4' energy: -45.332
flat angles C4'-P-C4' energy: -50.428
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -68.785
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: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -651.018158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.018158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.018158 (E_RNA)
where:
Base-Base interactions energy: -440.114
where: short stacking energy: -199.657
Base-Backbone interact. energy: 0.846
local terms energy: -211.750044
where:
bonds (distance) C4'-P energy: -35.682
bonds (distance) P-C4' energy: -37.516
flat angles C4'-P-C4' energy: -44.871
flat angles P-C4'-P energy: -41.017
tors. eta vs tors. theta energy: -52.664
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: 5, replica: 7
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -571.353448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.353448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.353448 (E_RNA)
where:
Base-Base interactions energy: -367.911
where: short stacking energy: -165.778
Base-Backbone interact. energy: -1.784
local terms energy: -201.658221
where:
bonds (distance) C4'-P energy: -41.985
bonds (distance) P-C4' energy: -44.049
flat angles C4'-P-C4' energy: -46.875
flat angles P-C4'-P energy: -29.541
tors. eta vs tors. theta energy: -39.209
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: 393
Temperature: 1.150000
Total energy: -530.755662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.755662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.755662 (E_RNA)
where:
Base-Base interactions energy: -327.512
where: short stacking energy: -155.475
Base-Backbone interact. energy: -1.104
local terms energy: -202.139580
where:
bonds (distance) C4'-P energy: -35.956
bonds (distance) P-C4' energy: -36.324
flat angles C4'-P-C4' energy: -48.794
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -51.642
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: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -493.040666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.040666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.040666 (E_RNA)
where:
Base-Base interactions energy: -319.116
where: short stacking energy: -138.754
Base-Backbone interact. energy: -1.458
local terms energy: -172.467131
where:
bonds (distance) C4'-P energy: -37.983
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -24.444
tors. eta vs tors. theta energy: -33.395
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: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -399.507137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.507137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.507137 (E_RNA)
where:
Base-Base interactions energy: -242.404
where: short stacking energy: -125.676
Base-Backbone interact. energy: -1.544
local terms energy: -155.559034
where:
bonds (distance) C4'-P energy: -35.716
bonds (distance) P-C4' energy: -34.245
flat angles C4'-P-C4' energy: -32.469
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -27.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -361.856583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.856583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.856583 (E_RNA)
where:
Base-Base interactions energy: -212.070
where: short stacking energy: -126.888
Base-Backbone interact. energy: -0.705
local terms energy: -149.082115
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -39.860
flat angles C4'-P-C4' energy: -35.335
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -18.084
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: 10, replica: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -216.828069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.828069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.828069 (E_RNA)
where:
Base-Base interactions energy: -74.688
where: short stacking energy: -70.715
Base-Backbone interact. energy: -0.307
local terms energy: -141.833378
where:
bonds (distance) C4'-P energy: -27.330
bonds (distance) P-C4' energy: -45.170
flat angles C4'-P-C4' energy: -36.167
flat angles P-C4'-P energy: -27.625
tors. eta vs tors. theta energy: -5.543
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: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -747.594635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.594635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.594635 (E_RNA)
where:
Base-Base interactions energy: -513.272
where: short stacking energy: -228.956
Base-Backbone interact. energy: -0.812
local terms energy: -233.509935
where:
bonds (distance) C4'-P energy: -45.217
bonds (distance) P-C4' energy: -42.727
flat angles C4'-P-C4' energy: -42.262
flat angles P-C4'-P energy: -33.908
tors. eta vs tors. theta energy: -69.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -742.075966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.075966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.075966 (E_RNA)
where:
Base-Base interactions energy: -507.347
where: short stacking energy: -223.273
Base-Backbone interact. energy: -1.821
local terms energy: -232.907971
where:
bonds (distance) C4'-P energy: -40.403
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -54.415
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: -64.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -687.272748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.272748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.272748 (E_RNA)
where:
Base-Base interactions energy: -467.625
where: short stacking energy: -221.703
Base-Backbone interact. energy: -0.843
local terms energy: -218.804695
where:
bonds (distance) C4'-P energy: -36.840
bonds (distance) P-C4' energy: -43.845
flat angles C4'-P-C4' energy: -46.047
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -67.057
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: 394
Temperature: 1.050000
Total energy: -691.679379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.679379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.679379 (E_RNA)
where:
Base-Base interactions energy: -460.191
where: short stacking energy: -209.008
Base-Backbone interact. energy: -0.875
local terms energy: -230.614283
where:
bonds (distance) C4'-P energy: -43.486
bonds (distance) P-C4' energy: -42.643
flat angles C4'-P-C4' energy: -52.915
flat angles P-C4'-P energy: -34.500
tors. eta vs tors. theta energy: -57.071
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: 5, replica: 7
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -590.152349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.152349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.152349 (E_RNA)
where:
Base-Base interactions energy: -402.346
where: short stacking energy: -185.841
Base-Backbone interact. energy: -1.125
local terms energy: -186.681287
where:
bonds (distance) C4'-P energy: -39.065
bonds (distance) P-C4' energy: -38.894
flat angles C4'-P-C4' energy: -45.837
flat angles P-C4'-P energy: -23.360
tors. eta vs tors. theta energy: -39.527
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: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -537.730400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.730400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.730400 (E_RNA)
where:
Base-Base interactions energy: -334.192
where: short stacking energy: -158.308
Base-Backbone interact. energy: -0.706
local terms energy: -202.832306
where:
bonds (distance) C4'-P energy: -40.073
bonds (distance) P-C4' energy: -40.528
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -28.041
tors. eta vs tors. theta energy: -47.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -506.492652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.492652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.492652 (E_RNA)
where:
Base-Base interactions energy: -317.238
where: short stacking energy: -147.463
Base-Backbone interact. energy: -0.355
local terms energy: -188.899400
where:
bonds (distance) C4'-P energy: -34.744
bonds (distance) P-C4' energy: -43.075
flat angles C4'-P-C4' energy: -41.316
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -39.319
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: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -398.499129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.499129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.499129 (E_RNA)
where:
Base-Base interactions energy: -234.904
where: short stacking energy: -125.125
Base-Backbone interact. energy: -1.299
local terms energy: -162.296077
where:
bonds (distance) C4'-P energy: -28.728
bonds (distance) P-C4' energy: -41.674
flat angles C4'-P-C4' energy: -33.950
flat angles P-C4'-P energy: -24.258
tors. eta vs tors. theta energy: -33.686
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: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -364.258969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.258969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.258969 (E_RNA)
where:
Base-Base interactions energy: -197.258
where: short stacking energy: -114.605
Base-Backbone interact. energy: -0.637
local terms energy: -166.364635
where:
bonds (distance) C4'-P energy: -45.959
bonds (distance) P-C4' energy: -33.628
flat angles C4'-P-C4' energy: -35.712
flat angles P-C4'-P energy: -27.650
tors. eta vs tors. theta energy: -23.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -186.640387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.640387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.640387 (E_RNA)
where:
Base-Base interactions energy: -55.564
where: short stacking energy: -46.710
Base-Backbone interact. energy: -0.608
local terms energy: -130.468535
where:
bonds (distance) C4'-P energy: -34.594
bonds (distance) P-C4' energy: -42.242
flat angles C4'-P-C4' energy: -29.563
flat angles P-C4'-P energy: -22.730
tors. eta vs tors. theta energy: -1.339
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: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -746.205168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.205168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.205168 (E_RNA)
where:
Base-Base interactions energy: -520.767
where: short stacking energy: -215.125
Base-Backbone interact. energy: -1.918
local terms energy: -223.520165
where:
bonds (distance) C4'-P energy: -42.505
bonds (distance) P-C4' energy: -41.459
flat angles C4'-P-C4' energy: -49.103
flat angles P-C4'-P energy: -28.174
tors. eta vs tors. theta energy: -62.279
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: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -722.138768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.138768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.138768 (E_RNA)
where:
Base-Base interactions energy: -498.334
where: short stacking energy: -201.003
Base-Backbone interact. energy: -0.058
local terms energy: -223.747080
where:
bonds (distance) C4'-P energy: -42.371
bonds (distance) P-C4' energy: -46.016
flat angles C4'-P-C4' energy: -47.220
flat angles P-C4'-P energy: -34.646
tors. eta vs tors. theta energy: -53.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -678.104340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.104340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.104340 (E_RNA)
where:
Base-Base interactions energy: -459.166
where: short stacking energy: -204.636
Base-Backbone interact. energy: -1.858
local terms energy: -217.080099
where:
bonds (distance) C4'-P energy: -43.818
bonds (distance) P-C4' energy: -37.852
flat angles C4'-P-C4' energy: -49.259
flat angles P-C4'-P energy: -27.948
tors. eta vs tors. theta energy: -58.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -694.874166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.874166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.874166 (E_RNA)
where:
Base-Base interactions energy: -471.243
where: short stacking energy: -190.281
Base-Backbone interact. energy: -0.593
local terms energy: -223.037927
where:
bonds (distance) C4'-P energy: -46.298
bonds (distance) P-C4' energy: -39.675
flat angles C4'-P-C4' energy: -46.479
flat angles P-C4'-P energy: -28.962
tors. eta vs tors. theta energy: -61.624
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: 7
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -580.624431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.624431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.624431 (E_RNA)
where:
Base-Base interactions energy: -390.376
where: short stacking energy: -177.168
Base-Backbone interact. energy: -0.509
local terms energy: -189.739437
where:
bonds (distance) C4'-P energy: -36.906
bonds (distance) P-C4' energy: -30.267
flat angles C4'-P-C4' energy: -44.296
flat angles P-C4'-P energy: -32.286
tors. eta vs tors. theta energy: -45.984
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: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -553.748939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.748939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.748939 (E_RNA)
where:
Base-Base interactions energy: -359.767
where: short stacking energy: -156.491
Base-Backbone interact. energy: -0.723
local terms energy: -193.258999
where:
bonds (distance) C4'-P energy: -39.133
bonds (distance) P-C4' energy: -43.490
flat angles C4'-P-C4' energy: -49.236
flat angles P-C4'-P energy: -23.565
tors. eta vs tors. theta energy: -37.835
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: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -519.662619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.662619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.662619 (E_RNA)
where:
Base-Base interactions energy: -330.946
where: short stacking energy: -157.947
Base-Backbone interact. energy: -0.209
local terms energy: -188.508601
where:
bonds (distance) C4'-P energy: -40.229
bonds (distance) P-C4' energy: -36.668
flat angles C4'-P-C4' energy: -40.951
flat angles P-C4'-P energy: -27.639
tors. eta vs tors. theta energy: -43.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -438.309739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.309739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.309739 (E_RNA)
where:
Base-Base interactions energy: -268.644
where: short stacking energy: -131.486
Base-Backbone interact. energy: 0.005
local terms energy: -169.671558
where:
bonds (distance) C4'-P energy: -44.289
bonds (distance) P-C4' energy: -42.993
flat angles C4'-P-C4' energy: -33.780
flat angles P-C4'-P energy: -21.664
tors. eta vs tors. theta energy: -26.945
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: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -364.360245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.360245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.360245 (E_RNA)
where:
Base-Base interactions energy: -214.303
where: short stacking energy: -119.481
Base-Backbone interact. energy: -0.417
local terms energy: -149.639869
where:
bonds (distance) C4'-P energy: -38.384
bonds (distance) P-C4' energy: -43.766
flat angles C4'-P-C4' energy: -26.327
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -193.549104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.549104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.549104 (E_RNA)
where:
Base-Base interactions energy: -58.191
where: short stacking energy: -50.000
Base-Backbone interact. energy: -1.280
local terms energy: -134.078326
where:
bonds (distance) C4'-P energy: -32.735
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -22.571
tors. eta vs tors. theta energy: -3.144
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: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -744.248803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.248803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.248803 (E_RNA)
where:
Base-Base interactions energy: -515.379
where: short stacking energy: -227.734
Base-Backbone interact. energy: -1.877
local terms energy: -226.992777
where:
bonds (distance) C4'-P energy: -45.858
bonds (distance) P-C4' energy: -46.438
flat angles C4'-P-C4' energy: -51.418
flat angles P-C4'-P energy: -24.580
tors. eta vs tors. theta energy: -58.699
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: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -731.913544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.913544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.913544 (E_RNA)
where:
Base-Base interactions energy: -511.924
where: short stacking energy: -222.223
Base-Backbone interact. energy: -1.149
local terms energy: -218.841088
where:
bonds (distance) C4'-P energy: -42.807
bonds (distance) P-C4' energy: -37.869
flat angles C4'-P-C4' energy: -49.444
flat angles P-C4'-P energy: -26.726
tors. eta vs tors. theta energy: -61.996
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: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -695.491344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.491344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.491344 (E_RNA)
where:
Base-Base interactions energy: -472.980
where: short stacking energy: -198.394
Base-Backbone interact. energy: -1.209
local terms energy: -221.302197
where:
bonds (distance) C4'-P energy: -42.717
bonds (distance) P-C4' energy: -46.195
flat angles C4'-P-C4' energy: -49.191
flat angles P-C4'-P energy: -26.480
tors. eta vs tors. theta energy: -56.720
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: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -653.421563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.421563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.421563 (E_RNA)
where:
Base-Base interactions energy: -433.596
where: short stacking energy: -194.843
Base-Backbone interact. energy: -0.218
local terms energy: -219.607682
where:
bonds (distance) C4'-P energy: -45.584
bonds (distance) P-C4' energy: -41.670
flat angles C4'-P-C4' energy: -46.661
flat angles P-C4'-P energy: -26.957
tors. eta vs tors. theta energy: -58.735
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: 5, replica: 7
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -574.395483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.395483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.395483 (E_RNA)
where:
Base-Base interactions energy: -378.332
where: short stacking energy: -168.538
Base-Backbone interact. energy: -0.960
local terms energy: -195.103013
where:
bonds (distance) C4'-P energy: -33.875
bonds (distance) P-C4' energy: -36.931
flat angles C4'-P-C4' energy: -49.764
flat angles P-C4'-P energy: -33.672
tors. eta vs tors. theta energy: -40.860
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: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -558.769594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.769594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.769594 (E_RNA)
where:
Base-Base interactions energy: -358.765
where: short stacking energy: -157.788
Base-Backbone interact. energy: -1.026
local terms energy: -198.978225
where:
bonds (distance) C4'-P energy: -41.269
bonds (distance) P-C4' energy: -41.435
flat angles C4'-P-C4' energy: -44.981
flat angles P-C4'-P energy: -32.296
tors. eta vs tors. theta energy: -38.997
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: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -505.967446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.967446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.967446 (E_RNA)
where:
Base-Base interactions energy: -327.876
where: short stacking energy: -159.061
Base-Backbone interact. energy: -1.409
local terms energy: -176.682181
where:
bonds (distance) C4'-P energy: -37.088
bonds (distance) P-C4' energy: -40.975
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -40.683
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: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -427.256840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.256840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.256840 (E_RNA)
where:
Base-Base interactions energy: -265.825
where: short stacking energy: -122.117
Base-Backbone interact. energy: 0.569
local terms energy: -162.000902
where:
bonds (distance) C4'-P energy: -41.727
bonds (distance) P-C4' energy: -37.158
flat angles C4'-P-C4' energy: -37.280
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -21.444
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: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -349.674995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.674995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.674995 (E_RNA)
where:
Base-Base interactions energy: -196.515
where: short stacking energy: -97.011
Base-Backbone interact. energy: 2.112
local terms energy: -155.272647
where:
bonds (distance) C4'-P energy: -39.077
bonds (distance) P-C4' energy: -37.517
flat angles C4'-P-C4' energy: -36.462
flat angles P-C4'-P energy: -30.391
tors. eta vs tors. theta energy: -11.826
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: 396
Temperature: 1.350000
Total energy: -227.851427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.851427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.851427 (E_RNA)
where:
Base-Base interactions energy: -101.330
where: short stacking energy: -69.497
Base-Backbone interact. energy: 0.401
local terms energy: -126.922459
where:
bonds (distance) C4'-P energy: -34.728
bonds (distance) P-C4' energy: -36.661
flat angles C4'-P-C4' energy: -35.638
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -4.431
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: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -745.703966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.703966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.703966 (E_RNA)
where:
Base-Base interactions energy: -507.727
where: short stacking energy: -225.289
Base-Backbone interact. energy: -1.975
local terms energy: -236.001286
where:
bonds (distance) C4'-P energy: -42.949
bonds (distance) P-C4' energy: -48.201
flat angles C4'-P-C4' energy: -48.616
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -61.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -731.705766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.705766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.705766 (E_RNA)
where:
Base-Base interactions energy: -501.693
where: short stacking energy: -210.247
Base-Backbone interact. energy: -0.476
local terms energy: -229.536948
where:
bonds (distance) C4'-P energy: -42.538
bonds (distance) P-C4' energy: -43.798
flat angles C4'-P-C4' energy: -50.724
flat angles P-C4'-P energy: -32.719
tors. eta vs tors. theta energy: -59.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -726.422663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.422663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.422663 (E_RNA)
where:
Base-Base interactions energy: -478.177
where: short stacking energy: -220.385
Base-Backbone interact. energy: -1.373
local terms energy: -246.873342
where:
bonds (distance) C4'-P energy: -44.783
bonds (distance) P-C4' energy: -55.234
flat angles C4'-P-C4' energy: -48.322
flat angles P-C4'-P energy: -32.862
tors. eta vs tors. theta energy: -65.672
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: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -658.428856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.428856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.428856 (E_RNA)
where:
Base-Base interactions energy: -451.792
where: short stacking energy: -209.272
Base-Backbone interact. energy: -1.330
local terms energy: -205.306803
where:
bonds (distance) C4'-P energy: -39.944
bonds (distance) P-C4' energy: -43.579
flat angles C4'-P-C4' energy: -45.959
flat angles P-C4'-P energy: -19.523
tors. eta vs tors. theta energy: -56.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -568.767344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.767344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.767344 (E_RNA)
where:
Base-Base interactions energy: -372.075
where: short stacking energy: -158.777
Base-Backbone interact. energy: -0.806
local terms energy: -195.886975
where:
bonds (distance) C4'-P energy: -44.393
bonds (distance) P-C4' energy: -38.631
flat angles C4'-P-C4' energy: -48.180
flat angles P-C4'-P energy: -29.169
tors. eta vs tors. theta energy: -35.514
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: 6, replica: 3
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -547.553505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.553505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.553505 (E_RNA)
where:
Base-Base interactions energy: -349.721
where: short stacking energy: -165.900
Base-Backbone interact. energy: -0.574
local terms energy: -197.259078
where:
bonds (distance) C4'-P energy: -40.203
bonds (distance) P-C4' energy: -39.268
flat angles C4'-P-C4' energy: -44.668
flat angles P-C4'-P energy: -32.945
tors. eta vs tors. theta energy: -40.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -528.492671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.492671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.492671 (E_RNA)
where:
Base-Base interactions energy: -339.406
where: short stacking energy: -169.205
Base-Backbone interact. energy: -0.489
local terms energy: -188.597688
where:
bonds (distance) C4'-P energy: -34.389
bonds (distance) P-C4' energy: -42.657
flat angles C4'-P-C4' energy: -37.764
flat angles P-C4'-P energy: -32.303
tors. eta vs tors. theta energy: -41.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -371.440905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.440905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.440905 (E_RNA)
where:
Base-Base interactions energy: -219.589
where: short stacking energy: -129.842
Base-Backbone interact. energy: -2.178
local terms energy: -149.673829
where:
bonds (distance) C4'-P energy: -40.804
bonds (distance) P-C4' energy: -26.709
flat angles C4'-P-C4' energy: -35.076
flat angles P-C4'-P energy: -26.889
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -372.428237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.428237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.428237 (E_RNA)
where:
Base-Base interactions energy: -219.756
where: short stacking energy: -106.571
Base-Backbone interact. energy: -0.827
local terms energy: -151.845324
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -39.078
flat angles C4'-P-C4' energy: -39.045
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -209.287504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.287504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.287504 (E_RNA)
where:
Base-Base interactions energy: -84.277
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.881
local terms energy: -124.129540
where:
bonds (distance) C4'-P energy: -39.010
bonds (distance) P-C4' energy: -46.129
flat angles C4'-P-C4' energy: -34.611
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: 6.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -745.427310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.427310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.427310 (E_RNA)
where:
Base-Base interactions energy: -517.904
where: short stacking energy: -228.545
Base-Backbone interact. energy: -0.138
local terms energy: -227.385490
where:
bonds (distance) C4'-P energy: -42.560
bonds (distance) P-C4' energy: -41.477
flat angles C4'-P-C4' energy: -42.937
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -62.942
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: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -725.540121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.540121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.540121 (E_RNA)
where:
Base-Base interactions energy: -507.124
where: short stacking energy: -221.740
Base-Backbone interact. energy: -0.476
local terms energy: -217.940354
where:
bonds (distance) C4'-P energy: -42.146
bonds (distance) P-C4' energy: -46.815
flat angles C4'-P-C4' energy: -42.527
flat angles P-C4'-P energy: -25.013
tors. eta vs tors. theta energy: -61.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -732.820724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.820724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.820724 (E_RNA)
where:
Base-Base interactions energy: -495.005
where: short stacking energy: -222.767
Base-Backbone interact. energy: -0.525
local terms energy: -237.291102
where:
bonds (distance) C4'-P energy: -43.229
bonds (distance) P-C4' energy: -42.703
flat angles C4'-P-C4' energy: -50.981
flat angles P-C4'-P energy: -34.691
tors. eta vs tors. theta energy: -65.688
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: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -634.753375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.753375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.753375 (E_RNA)
where:
Base-Base interactions energy: -419.155
where: short stacking energy: -189.455
Base-Backbone interact. energy: -1.154
local terms energy: -214.445327
where:
bonds (distance) C4'-P energy: -34.609
bonds (distance) P-C4' energy: -46.856
flat angles C4'-P-C4' energy: -37.941
flat angles P-C4'-P energy: -31.377
tors. eta vs tors. theta energy: -63.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -553.465848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.465848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.465848 (E_RNA)
where:
Base-Base interactions energy: -367.246
where: short stacking energy: -167.998
Base-Backbone interact. energy: -1.058
local terms energy: -185.161783
where:
bonds (distance) C4'-P energy: -36.119
bonds (distance) P-C4' energy: -40.512
flat angles C4'-P-C4' energy: -44.818
flat angles P-C4'-P energy: -26.866
tors. eta vs tors. theta energy: -36.845
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: 3
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -574.935270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.935270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.935270 (E_RNA)
where:
Base-Base interactions energy: -380.324
where: short stacking energy: -176.029
Base-Backbone interact. energy: 0.040
local terms energy: -194.651243
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -43.090
flat angles C4'-P-C4' energy: -45.009
flat angles P-C4'-P energy: -26.498
tors. eta vs tors. theta energy: -50.574
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: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -569.569139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.569139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.569139 (E_RNA)
where:
Base-Base interactions energy: -383.863
where: short stacking energy: -174.245
Base-Backbone interact. energy: -1.015
local terms energy: -184.690320
where:
bonds (distance) C4'-P energy: -41.561
bonds (distance) P-C4' energy: -31.720
flat angles C4'-P-C4' energy: -41.425
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -53.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -371.399498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.399498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.399498 (E_RNA)
where:
Base-Base interactions energy: -217.472
where: short stacking energy: -126.870
Base-Backbone interact. energy: -0.976
local terms energy: -152.951071
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -41.966
flat angles C4'-P-C4' energy: -34.644
flat angles P-C4'-P energy: -23.678
tors. eta vs tors. theta energy: -17.751
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: 9, replica: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -399.538146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.538146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.538146 (E_RNA)
where:
Base-Base interactions energy: -250.941
where: short stacking energy: -122.076
Base-Backbone interact. energy: -0.062
local terms energy: -148.535517
where:
bonds (distance) C4'-P energy: -31.999
bonds (distance) P-C4' energy: -31.696
flat angles C4'-P-C4' energy: -37.128
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -24.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -199.241758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.241758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.241758 (E_RNA)
where:
Base-Base interactions energy: -64.501
where: short stacking energy: -46.745
Base-Backbone interact. energy: -0.882
local terms energy: -133.858238
where:
bonds (distance) C4'-P energy: -39.429
bonds (distance) P-C4' energy: -42.710
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: 1.397
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: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -751.670395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.670395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.670395 (E_RNA)
where:
Base-Base interactions energy: -524.005
where: short stacking energy: -218.458
Base-Backbone interact. energy: -0.390
local terms energy: -227.275773
where:
bonds (distance) C4'-P energy: -42.919
bonds (distance) P-C4' energy: -46.953
flat angles C4'-P-C4' energy: -45.397
flat angles P-C4'-P energy: -30.374
tors. eta vs tors. theta energy: -61.632
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: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -738.449441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.449441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.449441 (E_RNA)
where:
Base-Base interactions energy: -509.236
where: short stacking energy: -219.511
Base-Backbone interact. energy: -1.350
local terms energy: -227.862958
where:
bonds (distance) C4'-P energy: -43.648
bonds (distance) P-C4' energy: -44.873
flat angles C4'-P-C4' energy: -46.835
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -60.701
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: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -705.670981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.670981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.670981 (E_RNA)
where:
Base-Base interactions energy: -479.208
where: short stacking energy: -208.682
Base-Backbone interact. energy: -0.765
local terms energy: -225.698151
where:
bonds (distance) C4'-P energy: -41.477
bonds (distance) P-C4' energy: -44.085
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: -62.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -655.742703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.742703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.742703 (E_RNA)
where:
Base-Base interactions energy: -446.692
where: short stacking energy: -192.522
Base-Backbone interact. energy: -0.273
local terms energy: -208.778117
where:
bonds (distance) C4'-P energy: -38.174
bonds (distance) P-C4' energy: -35.964
flat angles C4'-P-C4' energy: -42.423
flat angles P-C4'-P energy: -32.673
tors. eta vs tors. theta energy: -59.544
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: 7
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -587.313337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.313337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.313337 (E_RNA)
where:
Base-Base interactions energy: -398.736
where: short stacking energy: -178.310
Base-Backbone interact. energy: -0.559
local terms energy: -188.018103
where:
bonds (distance) C4'-P energy: -37.883
bonds (distance) P-C4' energy: -41.951
flat angles C4'-P-C4' energy: -43.547
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -41.314
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: 399
Temperature: 1.150000
Total energy: -586.542653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.542653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.542653 (E_RNA)
where:
Base-Base interactions energy: -382.027
where: short stacking energy: -183.628
Base-Backbone interact. energy: -0.088
local terms energy: -204.427502
where:
bonds (distance) C4'-P energy: -40.559
bonds (distance) P-C4' energy: -41.941
flat angles C4'-P-C4' energy: -42.974
flat angles P-C4'-P energy: -25.918
tors. eta vs tors. theta energy: -53.036
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: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -547.027596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.027596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.027596 (E_RNA)
where:
Base-Base interactions energy: -343.113
where: short stacking energy: -161.608
Base-Backbone interact. energy: -0.964
local terms energy: -202.950795
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -40.897
flat angles C4'-P-C4' energy: -51.735
flat angles P-C4'-P energy: -32.537
tors. eta vs tors. theta energy: -43.669
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: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -427.174787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.174787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.174787 (E_RNA)
where:
Base-Base interactions energy: -263.781
where: short stacking energy: -133.884
Base-Backbone interact. energy: -0.402
local terms energy: -162.992387
where:
bonds (distance) C4'-P energy: -40.852
bonds (distance) P-C4' energy: -40.828
flat angles C4'-P-C4' energy: -38.695
flat angles P-C4'-P energy: -18.668
tors. eta vs tors. theta energy: -23.949
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: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -338.974539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.974539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.974539 (E_RNA)
where:
Base-Base interactions energy: -205.403
where: short stacking energy: -109.907
Base-Backbone interact. energy: -0.573
local terms energy: -132.998498
where:
bonds (distance) C4'-P energy: -36.759
bonds (distance) P-C4' energy: -35.688
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -19.147
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: 10, replica: 10
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -202.374351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.374351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.374351 (E_RNA)
where:
Base-Base interactions energy: -78.287
where: short stacking energy: -56.226
Base-Backbone interact. energy: -0.899
local terms energy: -123.188107
where:
bonds (distance) C4'-P energy: -32.045
bonds (distance) P-C4' energy: -42.635
flat angles C4'-P-C4' energy: -31.213
flat angles P-C4'-P energy: -22.895
tors. eta vs tors. theta energy: 5.600
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: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -755.921263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.921263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.921263 (E_RNA)
where:
Base-Base interactions energy: -512.431
where: short stacking energy: -213.072
Base-Backbone interact. energy: -0.996
local terms energy: -242.494772
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -46.611
flat angles C4'-P-C4' energy: -49.101
flat angles P-C4'-P energy: -38.519
tors. eta vs tors. theta energy: -61.661
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: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -723.848184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.848184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.848184 (E_RNA)
where:
Base-Base interactions energy: -492.175
where: short stacking energy: -211.051
Base-Backbone interact. energy: -1.371
local terms energy: -230.302386
where:
bonds (distance) C4'-P energy: -39.561
bonds (distance) P-C4' energy: -47.495
flat angles C4'-P-C4' energy: -48.921
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -59.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -711.464935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.464935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.464935 (E_RNA)
where:
Base-Base interactions energy: -482.602
where: short stacking energy: -222.223
Base-Backbone interact. energy: -0.182
local terms energy: -228.680723
where:
bonds (distance) C4'-P energy: -31.117
bonds (distance) P-C4' energy: -50.226
flat angles C4'-P-C4' energy: -45.845
flat angles P-C4'-P energy: -33.266
tors. eta vs tors. theta energy: -68.227
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: 1
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -650.915878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.915878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.915878 (E_RNA)
where:
Base-Base interactions energy: -428.768
where: short stacking energy: -186.283
Base-Backbone interact. energy: -2.351
local terms energy: -219.797628
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -40.956
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -30.332
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: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -595.286406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.286406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.286406 (E_RNA)
where:
Base-Base interactions energy: -403.451
where: short stacking energy: -183.069
Base-Backbone interact. energy: -0.331
local terms energy: -191.504206
where:
bonds (distance) C4'-P energy: -33.167
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -39.357
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -46.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -557.601941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.601941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.601941 (E_RNA)
where:
Base-Base interactions energy: -365.100
where: short stacking energy: -173.293
Base-Backbone interact. energy: -1.464
local terms energy: -191.037767
where:
bonds (distance) C4'-P energy: -35.000
bonds (distance) P-C4' energy: -37.995
flat angles C4'-P-C4' energy: -46.589
flat angles P-C4'-P energy: -25.174
tors. eta vs tors. theta energy: -46.281
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: 7, replica: 3
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -562.747459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.747459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.747459 (E_RNA)
where:
Base-Base interactions energy: -375.646
where: short stacking energy: -168.833
Base-Backbone interact. energy: -0.854
local terms energy: -186.246674
where:
bonds (distance) C4'-P energy: -39.355
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -39.337
flat angles P-C4'-P energy: -24.717
tors. eta vs tors. theta energy: -44.229
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: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -432.950303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.950303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.950303 (E_RNA)
where:
Base-Base interactions energy: -262.167
where: short stacking energy: -128.687
Base-Backbone interact. energy: -0.287
local terms energy: -170.496567
where:
bonds (distance) C4'-P energy: -40.642
bonds (distance) P-C4' energy: -41.599
flat angles C4'-P-C4' energy: -38.092
flat angles P-C4'-P energy: -16.709
tors. eta vs tors. theta energy: -33.454
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: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -325.035799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.035799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.035799 (E_RNA)
where:
Base-Base interactions energy: -191.027
where: short stacking energy: -91.730
Base-Backbone interact. energy: 0.123
local terms energy: -134.132156
where:
bonds (distance) C4'-P energy: -37.718
bonds (distance) P-C4' energy: -26.739
flat angles C4'-P-C4' energy: -36.479
flat angles P-C4'-P energy: -24.766
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -250.861456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.861456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.861456 (E_RNA)
where:
Base-Base interactions energy: -125.038
where: short stacking energy: -76.802
Base-Backbone interact. energy: -1.153
local terms energy: -124.670237
where:
bonds (distance) C4'-P energy: -36.298
bonds (distance) P-C4' energy: -36.187
flat angles C4'-P-C4' energy: -24.399
flat angles P-C4'-P energy: -24.491
tors. eta vs tors. theta energy: -3.294
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: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -758.317550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.317550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.317550 (E_RNA)
where:
Base-Base interactions energy: -526.279
where: short stacking energy: -215.943
Base-Backbone interact. energy: -0.389
local terms energy: -231.649474
where:
bonds (distance) C4'-P energy: -47.792
bonds (distance) P-C4' energy: -44.297
flat angles C4'-P-C4' energy: -53.593
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -58.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -743.812276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.812276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.812276 (E_RNA)
where:
Base-Base interactions energy: -518.229
where: short stacking energy: -209.756
Base-Backbone interact. energy: -0.731
local terms energy: -224.852872
where:
bonds (distance) C4'-P energy: -41.596
bonds (distance) P-C4' energy: -41.345
flat angles C4'-P-C4' energy: -47.218
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -64.722
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: 5
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -713.943622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.943622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.943622 (E_RNA)
where:
Base-Base interactions energy: -483.455
where: short stacking energy: -222.576
Base-Backbone interact. energy: -1.981
local terms energy: -228.507660
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -44.687
flat angles P-C4'-P energy: -29.791
tors. eta vs tors. theta energy: -66.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -648.004878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.004878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.004878 (E_RNA)
where:
Base-Base interactions energy: -446.082
where: short stacking energy: -205.510
Base-Backbone interact. energy: -0.094
local terms energy: -201.828102
where:
bonds (distance) C4'-P energy: -37.667
bonds (distance) P-C4' energy: -30.986
flat angles C4'-P-C4' energy: -47.752
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: -61.799
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: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -628.768689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.768689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.768689 (E_RNA)
where:
Base-Base interactions energy: -421.874
where: short stacking energy: -202.052
Base-Backbone interact. energy: -0.654
local terms energy: -206.240898
where:
bonds (distance) C4'-P energy: -37.264
bonds (distance) P-C4' energy: -41.808
flat angles C4'-P-C4' energy: -43.485
flat angles P-C4'-P energy: -27.264
tors. eta vs tors. theta energy: -56.419
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: 3
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -576.190873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.190873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.190873 (E_RNA)
where:
Base-Base interactions energy: -368.464
where: short stacking energy: -171.095
Base-Backbone interact. energy: -0.919
local terms energy: -206.807934
where:
bonds (distance) C4'-P energy: -40.659
bonds (distance) P-C4' energy: -40.283
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -29.309
tors. eta vs tors. theta energy: -51.501
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: 7, replica: 7
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -503.700356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.700356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.700356 (E_RNA)
where:
Base-Base interactions energy: -319.465
where: short stacking energy: -145.929
Base-Backbone interact. energy: -1.862
local terms energy: -182.373433
where:
bonds (distance) C4'-P energy: -35.867
bonds (distance) P-C4' energy: -35.073
flat angles C4'-P-C4' energy: -44.369
flat angles P-C4'-P energy: -30.017
tors. eta vs tors. theta energy: -37.047
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: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -436.769255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.769255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.769255 (E_RNA)
where:
Base-Base interactions energy: -255.322
where: short stacking energy: -119.703
Base-Backbone interact. energy: -0.172
local terms energy: -181.275877
where:
bonds (distance) C4'-P energy: -41.226
bonds (distance) P-C4' energy: -39.690
flat angles C4'-P-C4' energy: -43.411
flat angles P-C4'-P energy: -27.099
tors. eta vs tors. theta energy: -29.850
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: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -347.850533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.850533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.850533 (E_RNA)
where:
Base-Base interactions energy: -213.477
where: short stacking energy: -115.153
Base-Backbone interact. energy: -0.398
local terms energy: -133.975939
where:
bonds (distance) C4'-P energy: -33.058
bonds (distance) P-C4' energy: -42.151
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -16.546
tors. eta vs tors. theta energy: -11.584
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: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -221.051178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.051178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.051178 (E_RNA)
where:
Base-Base interactions energy: -103.883
where: short stacking energy: -61.533
Base-Backbone interact. energy: 1.466
local terms energy: -118.634391
where:
bonds (distance) C4'-P energy: -35.071
bonds (distance) P-C4' energy: -25.982
flat angles C4'-P-C4' energy: -36.385
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -6.509
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: 1, replica: 4
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -748.499962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.499962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.499962 (E_RNA)
where:
Base-Base interactions energy: -523.688
where: short stacking energy: -231.389
Base-Backbone interact. energy: -0.766
local terms energy: -224.045437
where:
bonds (distance) C4'-P energy: -38.328
bonds (distance) P-C4' energy: -43.053
flat angles C4'-P-C4' energy: -46.672
flat angles P-C4'-P energy: -32.519
tors. eta vs tors. theta energy: -63.475
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: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -733.552414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.552414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.552414 (E_RNA)
where:
Base-Base interactions energy: -501.041
where: short stacking energy: -214.701
Base-Backbone interact. energy: -0.420
local terms energy: -232.091426
where:
bonds (distance) C4'-P energy: -40.059
bonds (distance) P-C4' energy: -43.843
flat angles C4'-P-C4' energy: -47.925
flat angles P-C4'-P energy: -33.796
tors. eta vs tors. theta energy: -66.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -711.549365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.549365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.549365 (E_RNA)
where:
Base-Base interactions energy: -478.647
where: short stacking energy: -213.437
Base-Backbone interact. energy: -1.669
local terms energy: -231.233634
where:
bonds (distance) C4'-P energy: -42.203
bonds (distance) P-C4' energy: -42.312
flat angles C4'-P-C4' energy: -43.650
flat angles P-C4'-P energy: -39.100
tors. eta vs tors. theta energy: -63.969
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: 1
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -647.673397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.673397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.673397 (E_RNA)
where:
Base-Base interactions energy: -438.915
where: short stacking energy: -191.651
Base-Backbone interact. energy: -1.080
local terms energy: -207.677706
where:
bonds (distance) C4'-P energy: -42.629
bonds (distance) P-C4' energy: -38.439
flat angles C4'-P-C4' energy: -42.189
flat angles P-C4'-P energy: -28.898
tors. eta vs tors. theta energy: -55.523
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: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -621.062063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.062063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.062063 (E_RNA)
where:
Base-Base interactions energy: -415.850
where: short stacking energy: -179.398
Base-Backbone interact. energy: -0.772
local terms energy: -204.440518
where:
bonds (distance) C4'-P energy: -41.190
bonds (distance) P-C4' energy: -41.833
flat angles C4'-P-C4' energy: -47.964
flat angles P-C4'-P energy: -30.352
tors. eta vs tors. theta energy: -43.102
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: 6, replica: 3
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -574.309720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.309720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.309720 (E_RNA)
where:
Base-Base interactions energy: -379.184
where: short stacking energy: -170.696
Base-Backbone interact. energy: -0.589
local terms energy: -194.536909
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -36.307
flat angles C4'-P-C4' energy: -46.133
flat angles P-C4'-P energy: -28.042
tors. eta vs tors. theta energy: -49.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -454.747757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.747757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.747757 (E_RNA)
where:
Base-Base interactions energy: -279.874
where: short stacking energy: -136.749
Base-Backbone interact. energy: -1.243
local terms energy: -173.630951
where:
bonds (distance) C4'-P energy: -42.278
bonds (distance) P-C4' energy: -41.411
flat angles C4'-P-C4' energy: -42.117
flat angles P-C4'-P energy: -18.820
tors. eta vs tors. theta energy: -29.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -459.107493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.107493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.107493 (E_RNA)
where:
Base-Base interactions energy: -290.757
where: short stacking energy: -127.820
Base-Backbone interact. energy: -1.089
local terms energy: -167.261663
where:
bonds (distance) C4'-P energy: -43.359
bonds (distance) P-C4' energy: -32.102
flat angles C4'-P-C4' energy: -44.334
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -23.163
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: 402
Temperature: 1.300000
Total energy: -362.753147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.753147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.753147 (E_RNA)
where:
Base-Base interactions energy: -206.746
where: short stacking energy: -115.893
Base-Backbone interact. energy: -1.136
local terms energy: -154.870871
where:
bonds (distance) C4'-P energy: -32.549
bonds (distance) P-C4' energy: -43.858
flat angles C4'-P-C4' energy: -38.540
flat angles P-C4'-P energy: -25.310
tors. eta vs tors. theta energy: -14.615
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: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -241.098384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.098384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.098384 (E_RNA)
where:
Base-Base interactions energy: -126.036
where: short stacking energy: -78.422
Base-Backbone interact. energy: 0.221
local terms energy: -115.282901
where:
bonds (distance) C4'-P energy: -31.900
bonds (distance) P-C4' energy: -26.967
flat angles C4'-P-C4' energy: -37.971
flat angles P-C4'-P energy: -17.786
tors. eta vs tors. theta energy: -0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -756.298040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.298040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.298040 (E_RNA)
where:
Base-Base interactions energy: -528.780
where: short stacking energy: -211.535
Base-Backbone interact. energy: -0.823
local terms energy: -226.694835
where:
bonds (distance) C4'-P energy: -36.834
bonds (distance) P-C4' energy: -39.187
flat angles C4'-P-C4' energy: -48.443
flat angles P-C4'-P energy: -39.349
tors. eta vs tors. theta energy: -62.882
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: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -724.664038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.664038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.664038 (E_RNA)
where:
Base-Base interactions energy: -495.653
where: short stacking energy: -222.768
Base-Backbone interact. energy: -1.332
local terms energy: -227.678790
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -39.413
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -37.595
tors. eta vs tors. theta energy: -62.206
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: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -718.761397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.761397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.761397 (E_RNA)
where:
Base-Base interactions energy: -479.810
where: short stacking energy: -213.573
Base-Backbone interact. energy: -0.279
local terms energy: -238.672760
where:
bonds (distance) C4'-P energy: -43.234
bonds (distance) P-C4' energy: -49.295
flat angles C4'-P-C4' energy: -48.091
flat angles P-C4'-P energy: -38.652
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: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -639.551328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.551328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.551328 (E_RNA)
where:
Base-Base interactions energy: -437.885
where: short stacking energy: -173.935
Base-Backbone interact. energy: -0.284
local terms energy: -201.382263
where:
bonds (distance) C4'-P energy: -40.460
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -42.993
flat angles P-C4'-P energy: -34.751
tors. eta vs tors. theta energy: -52.360
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: 1
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -603.099567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.099567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.099567 (E_RNA)
where:
Base-Base interactions energy: -399.767
where: short stacking energy: -185.984
Base-Backbone interact. energy: -1.340
local terms energy: -201.992697
where:
bonds (distance) C4'-P energy: -40.755
bonds (distance) P-C4' energy: -36.177
flat angles C4'-P-C4' energy: -44.242
flat angles P-C4'-P energy: -27.754
tors. eta vs tors. theta energy: -53.064
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: 3
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -545.845059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.845059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.845059 (E_RNA)
where:
Base-Base interactions energy: -364.658
where: short stacking energy: -170.301
Base-Backbone interact. energy: -1.979
local terms energy: -179.207925
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -38.795
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -42.165
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: 7, replica: 8
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -447.485099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.485099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.485099 (E_RNA)
where:
Base-Base interactions energy: -286.622
where: short stacking energy: -117.074
Base-Backbone interact. energy: 0.807
local terms energy: -161.669731
where:
bonds (distance) C4'-P energy: -37.547
bonds (distance) P-C4' energy: -28.763
flat angles C4'-P-C4' energy: -39.439
flat angles P-C4'-P energy: -31.025
tors. eta vs tors. theta energy: -24.896
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: 403
Temperature: 1.250000
Total energy: -500.966966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.966966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.966966 (E_RNA)
where:
Base-Base interactions energy: -304.513
where: short stacking energy: -142.693
Base-Backbone interact. energy: -1.046
local terms energy: -195.408028
where:
bonds (distance) C4'-P energy: -45.125
bonds (distance) P-C4' energy: -38.896
flat angles C4'-P-C4' energy: -43.178
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -36.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -343.881319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.881319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.881319 (E_RNA)
where:
Base-Base interactions energy: -201.898
where: short stacking energy: -101.678
Base-Backbone interact. energy: -1.282
local terms energy: -140.700691
where:
bonds (distance) C4'-P energy: -31.354
bonds (distance) P-C4' energy: -33.401
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -247.042509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.042509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.042509 (E_RNA)
where:
Base-Base interactions energy: -103.769
where: short stacking energy: -68.419
Base-Backbone interact. energy: -0.230
local terms energy: -143.043666
where:
bonds (distance) C4'-P energy: -37.853
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -34.991
flat angles P-C4'-P energy: -29.749
tors. eta vs tors. theta energy: -5.345
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: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -755.606259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.606259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.606259 (E_RNA)
where:
Base-Base interactions energy: -518.162
where: short stacking energy: -222.427
Base-Backbone interact. energy: -2.880
local terms energy: -234.563876
where:
bonds (distance) C4'-P energy: -41.086
bonds (distance) P-C4' energy: -48.796
flat angles C4'-P-C4' energy: -49.305
flat angles P-C4'-P energy: -35.223
tors. eta vs tors. theta energy: -60.153
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: 404
Temperature: 0.950000
Total energy: -718.145711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.145711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.145711 (E_RNA)
where:
Base-Base interactions energy: -491.666
where: short stacking energy: -208.915
Base-Backbone interact. energy: -1.511
local terms energy: -224.968605
where:
bonds (distance) C4'-P energy: -37.533
bonds (distance) P-C4' energy: -47.713
flat angles C4'-P-C4' energy: -43.322
flat angles P-C4'-P energy: -34.001
tors. eta vs tors. theta energy: -62.400
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: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -705.567590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.567590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.567590 (E_RNA)
where:
Base-Base interactions energy: -483.163
where: short stacking energy: -198.015
Base-Backbone interact. energy: -1.240
local terms energy: -221.164038
where:
bonds (distance) C4'-P energy: -41.943
bonds (distance) P-C4' energy: -43.077
flat angles C4'-P-C4' energy: -49.713
flat angles P-C4'-P energy: -29.669
tors. eta vs tors. theta energy: -56.762
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: 404
Temperature: 1.050000
Total energy: -641.575626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.575626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.575626 (E_RNA)
where:
Base-Base interactions energy: -441.364
where: short stacking energy: -204.458
Base-Backbone interact. energy: -0.236
local terms energy: -199.976275
where:
bonds (distance) C4'-P energy: -39.295
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -42.408
flat angles P-C4'-P energy: -26.952
tors. eta vs tors. theta energy: -55.760
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: 1
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -622.227172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.227172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.227172 (E_RNA)
where:
Base-Base interactions energy: -419.400
where: short stacking energy: -191.418
Base-Backbone interact. energy: 0.670
local terms energy: -203.497374
where:
bonds (distance) C4'-P energy: -38.188
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -51.433
flat angles P-C4'-P energy: -29.881
tors. eta vs tors. theta energy: -54.698
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: 3
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -569.876997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.876997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.876997 (E_RNA)
where:
Base-Base interactions energy: -348.082
where: short stacking energy: -162.265
Base-Backbone interact. energy: -0.523
local terms energy: -221.272321
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -49.098
flat angles C4'-P-C4' energy: -50.542
flat angles P-C4'-P energy: -41.212
tors. eta vs tors. theta energy: -46.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -513.859075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.859075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.859075 (E_RNA)
where:
Base-Base interactions energy: -337.772
where: short stacking energy: -142.066
Base-Backbone interact. energy: 0.661
local terms energy: -176.748921
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -41.026
flat angles C4'-P-C4' energy: -41.300
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -31.999
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: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -426.456753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.456753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.456753 (E_RNA)
where:
Base-Base interactions energy: -267.369
where: short stacking energy: -114.423
Base-Backbone interact. energy: -0.305
local terms energy: -158.782290
where:
bonds (distance) C4'-P energy: -39.283
bonds (distance) P-C4' energy: -33.888
flat angles C4'-P-C4' energy: -40.923
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -20.452
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: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -322.200811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.200811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.200811 (E_RNA)
where:
Base-Base interactions energy: -185.086
where: short stacking energy: -94.841
Base-Backbone interact. energy: 1.042
local terms energy: -138.156507
where:
bonds (distance) C4'-P energy: -42.525
bonds (distance) P-C4' energy: -33.962
flat angles C4'-P-C4' energy: -37.700
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -8.289
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: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -256.076243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.076243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.076243 (E_RNA)
where:
Base-Base interactions energy: -123.819
where: short stacking energy: -68.816
Base-Backbone interact. energy: -1.588
local terms energy: -130.668737
where:
bonds (distance) C4'-P energy: -39.507
bonds (distance) P-C4' energy: -41.802
flat angles C4'-P-C4' energy: -35.121
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: 1.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -753.408378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.408378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.408378 (E_RNA)
where:
Base-Base interactions energy: -524.206
where: short stacking energy: -233.461
Base-Backbone interact. energy: -0.602
local terms energy: -228.600358
where:
bonds (distance) C4'-P energy: -48.838
bonds (distance) P-C4' energy: -38.641
flat angles C4'-P-C4' energy: -45.079
flat angles P-C4'-P energy: -33.625
tors. eta vs tors. theta energy: -62.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -720.561949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.561949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.561949 (E_RNA)
where:
Base-Base interactions energy: -481.581
where: short stacking energy: -203.262
Base-Backbone interact. energy: -0.790
local terms energy: -238.190583
where:
bonds (distance) C4'-P energy: -45.578
bonds (distance) P-C4' energy: -45.638
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -36.115
tors. eta vs tors. theta energy: -60.613
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: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -688.054493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.054493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.054493 (E_RNA)
where:
Base-Base interactions energy: -477.618
where: short stacking energy: -198.395
Base-Backbone interact. energy: -2.447
local terms energy: -207.989557
where:
bonds (distance) C4'-P energy: -36.432
bonds (distance) P-C4' energy: -34.685
flat angles C4'-P-C4' energy: -47.042
flat angles P-C4'-P energy: -30.680
tors. eta vs tors. theta energy: -59.152
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: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -653.748988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.748988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.748988 (E_RNA)
where:
Base-Base interactions energy: -437.354
where: short stacking energy: -198.695
Base-Backbone interact. energy: -0.403
local terms energy: -215.992259
where:
bonds (distance) C4'-P energy: -38.328
bonds (distance) P-C4' energy: -45.125
flat angles C4'-P-C4' energy: -45.926
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -51.995
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: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -599.938876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.938876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.938876 (E_RNA)
where:
Base-Base interactions energy: -387.358
where: short stacking energy: -195.071
Base-Backbone interact. energy: -0.036
local terms energy: -212.544192
where:
bonds (distance) C4'-P energy: -35.667
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -42.917
flat angles P-C4'-P energy: -34.876
tors. eta vs tors. theta energy: -58.332
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: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -556.302945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.302945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.302945 (E_RNA)
where:
Base-Base interactions energy: -356.460
where: short stacking energy: -179.348
Base-Backbone interact. energy: -0.964
local terms energy: -198.879896
where:
bonds (distance) C4'-P energy: -40.097
bonds (distance) P-C4' energy: -46.499
flat angles C4'-P-C4' energy: -40.756
flat angles P-C4'-P energy: -25.521
tors. eta vs tors. theta energy: -46.007
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: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -556.678686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.678686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.678686 (E_RNA)
where:
Base-Base interactions energy: -367.417
where: short stacking energy: -165.603
Base-Backbone interact. energy: 0.469
local terms energy: -189.730646
where:
bonds (distance) C4'-P energy: -40.083
bonds (distance) P-C4' energy: -39.693
flat angles C4'-P-C4' energy: -44.018
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -46.675
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: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -406.432975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.432975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.432975 (E_RNA)
where:
Base-Base interactions energy: -266.448
where: short stacking energy: -109.254
Base-Backbone interact. energy: -1.983
local terms energy: -138.001951
where:
bonds (distance) C4'-P energy: -42.125
bonds (distance) P-C4' energy: -33.328
flat angles C4'-P-C4' energy: -27.330
flat angles P-C4'-P energy: -21.092
tors. eta vs tors. theta energy: -14.127
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: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -348.531482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.531482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.531482 (E_RNA)
where:
Base-Base interactions energy: -194.289
where: short stacking energy: -111.462
Base-Backbone interact. energy: -0.123
local terms energy: -154.119607
where:
bonds (distance) C4'-P energy: -34.354
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -36.983
flat angles P-C4'-P energy: -21.694
tors. eta vs tors. theta energy: -20.427
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: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -269.758461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.758461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.758461 (E_RNA)
where:
Base-Base interactions energy: -142.674
where: short stacking energy: -84.710
Base-Backbone interact. energy: 3.502
local terms energy: -130.586343
where:
bonds (distance) C4'-P energy: -43.716
bonds (distance) P-C4' energy: -35.013
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -7.818
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: 1, replica: 4
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -753.054223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.054223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.054223 (E_RNA)
where:
Base-Base interactions energy: -516.225
where: short stacking energy: -221.641
Base-Backbone interact. energy: -0.524
local terms energy: -236.305177
where:
bonds (distance) C4'-P energy: -41.578
bonds (distance) P-C4' energy: -48.290
flat angles C4'-P-C4' energy: -52.353
flat angles P-C4'-P energy: -33.241
tors. eta vs tors. theta energy: -60.844
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: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -725.559680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.559680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.559680 (E_RNA)
where:
Base-Base interactions energy: -490.481
where: short stacking energy: -202.846
Base-Backbone interact. energy: -0.922
local terms energy: -234.156233
where:
bonds (distance) C4'-P energy: -40.852
bonds (distance) P-C4' energy: -45.437
flat angles C4'-P-C4' energy: -47.898
flat angles P-C4'-P energy: -39.046
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: 3, replica: 5
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -686.696523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.696523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.696523 (E_RNA)
where:
Base-Base interactions energy: -467.514
where: short stacking energy: -198.275
Base-Backbone interact. energy: -0.418
local terms energy: -218.764526
where:
bonds (distance) C4'-P energy: -42.213
bonds (distance) P-C4' energy: -42.082
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -28.665
tors. eta vs tors. theta energy: -59.562
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: 4, replica: 6
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -668.938403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.938403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.938403 (E_RNA)
where:
Base-Base interactions energy: -445.972
where: short stacking energy: -193.900
Base-Backbone interact. energy: -0.390
local terms energy: -222.576821
where:
bonds (distance) C4'-P energy: -37.895
bonds (distance) P-C4' energy: -43.506
flat angles C4'-P-C4' energy: -47.876
flat angles P-C4'-P energy: -30.371
tors. eta vs tors. theta energy: -62.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -630.793604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.793604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.793604 (E_RNA)
where:
Base-Base interactions energy: -416.249
where: short stacking energy: -206.534
Base-Backbone interact. energy: 0.155
local terms energy: -214.700009
where:
bonds (distance) C4'-P energy: -40.547
bonds (distance) P-C4' energy: -35.064
flat angles C4'-P-C4' energy: -44.743
flat angles P-C4'-P energy: -29.589
tors. eta vs tors. theta energy: -64.756
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: 6, replica: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -556.965728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.965728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.965728 (E_RNA)
where:
Base-Base interactions energy: -364.715
where: short stacking energy: -157.293
Base-Backbone interact. energy: -1.284
local terms energy: -190.967324
where:
bonds (distance) C4'-P energy: -34.472
bonds (distance) P-C4' energy: -38.799
flat angles C4'-P-C4' energy: -47.967
flat angles P-C4'-P energy: -30.150
tors. eta vs tors. theta energy: -39.579
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: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -569.332570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.332570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.332570 (E_RNA)
where:
Base-Base interactions energy: -361.097
where: short stacking energy: -171.436
Base-Backbone interact. energy: -1.662
local terms energy: -206.572991
where:
bonds (distance) C4'-P energy: -31.755
bonds (distance) P-C4' energy: -46.615
flat angles C4'-P-C4' energy: -46.877
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -52.188
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: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -399.777496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.777496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.777496 (E_RNA)
where:
Base-Base interactions energy: -246.099
where: short stacking energy: -119.538
Base-Backbone interact. energy: -0.398
local terms energy: -153.280627
where:
bonds (distance) C4'-P energy: -35.408
bonds (distance) P-C4' energy: -40.162
flat angles C4'-P-C4' energy: -35.126
flat angles P-C4'-P energy: -18.456
tors. eta vs tors. theta energy: -24.129
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: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -344.699616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.699616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.699616 (E_RNA)
where:
Base-Base interactions energy: -204.645
where: short stacking energy: -105.813
Base-Backbone interact. energy: 0.420
local terms energy: -140.474163
where:
bonds (distance) C4'-P energy: -35.700
bonds (distance) P-C4' energy: -32.243
flat angles C4'-P-C4' energy: -42.273
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -274.802574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.802574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.802574 (E_RNA)
where:
Base-Base interactions energy: -146.355
where: short stacking energy: -88.116
Base-Backbone interact. energy: 0.954
local terms energy: -129.401433
where:
bonds (distance) C4'-P energy: -29.487
bonds (distance) P-C4' energy: -34.976
flat angles C4'-P-C4' energy: -29.782
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: -8.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -758.215803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.215803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.215803 (E_RNA)
where:
Base-Base interactions energy: -521.764
where: short stacking energy: -221.681
Base-Backbone interact. energy: -0.784
local terms energy: -235.667833
where:
bonds (distance) C4'-P energy: -36.195
bonds (distance) P-C4' energy: -42.999
flat angles C4'-P-C4' energy: -53.357
flat angles P-C4'-P energy: -36.085
tors. eta vs tors. theta energy: -67.032
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: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -717.944325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.944325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.944325 (E_RNA)
where:
Base-Base interactions energy: -490.906
where: short stacking energy: -214.824
Base-Backbone interact. energy: -0.366
local terms energy: -226.672492
where:
bonds (distance) C4'-P energy: -41.710
bonds (distance) P-C4' energy: -48.983
flat angles C4'-P-C4' energy: -43.193
flat angles P-C4'-P energy: -30.398
tors. eta vs tors. theta energy: -62.389
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: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -671.645751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.645751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.645751 (E_RNA)
where:
Base-Base interactions energy: -454.860
where: short stacking energy: -206.847
Base-Backbone interact. energy: -1.958
local terms energy: -214.827386
where:
bonds (distance) C4'-P energy: -31.304
bonds (distance) P-C4' energy: -43.359
flat angles C4'-P-C4' energy: -49.558
flat angles P-C4'-P energy: -32.038
tors. eta vs tors. theta energy: -58.569
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: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -710.083214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.083214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.083214 (E_RNA)
where:
Base-Base interactions energy: -478.708
where: short stacking energy: -204.195
Base-Backbone interact. energy: -2.256
local terms energy: -229.119496
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -39.925
flat angles C4'-P-C4' energy: -49.698
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: -66.200
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: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -611.747971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.747971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.747971 (E_RNA)
where:
Base-Base interactions energy: -401.708
where: short stacking energy: -181.062
Base-Backbone interact. energy: -0.851
local terms energy: -209.189773
where:
bonds (distance) C4'-P energy: -35.872
bonds (distance) P-C4' energy: -46.509
flat angles C4'-P-C4' energy: -48.390
flat angles P-C4'-P energy: -26.129
tors. eta vs tors. theta energy: -52.290
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: 7
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -554.842171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.842171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.842171 (E_RNA)
where:
Base-Base interactions energy: -382.213
where: short stacking energy: -172.717
Base-Backbone interact. energy: 0.012
local terms energy: -172.641507
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -37.119
flat angles C4'-P-C4' energy: -51.115
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -40.937
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: 7, replica: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -560.339008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.339008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.339008 (E_RNA)
where:
Base-Base interactions energy: -376.064
where: short stacking energy: -178.573
Base-Backbone interact. energy: -0.463
local terms energy: -183.811990
where:
bonds (distance) C4'-P energy: -39.074
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -31.692
flat angles P-C4'-P energy: -28.900
tors. eta vs tors. theta energy: -49.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -426.094729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.094729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.094729 (E_RNA)
where:
Base-Base interactions energy: -261.600
where: short stacking energy: -136.411
Base-Backbone interact. energy: -1.048
local terms energy: -163.446980
where:
bonds (distance) C4'-P energy: -34.711
bonds (distance) P-C4' energy: -38.082
flat angles C4'-P-C4' energy: -42.384
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -34.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -414.855969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.855969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.855969 (E_RNA)
where:
Base-Base interactions energy: -251.831
where: short stacking energy: -120.783
Base-Backbone interact. energy: -0.782
local terms energy: -162.243583
where:
bonds (distance) C4'-P energy: -35.084
bonds (distance) P-C4' energy: -28.048
flat angles C4'-P-C4' energy: -42.613
flat angles P-C4'-P energy: -22.768
tors. eta vs tors. theta energy: -33.730
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: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -270.098467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.098467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.098467 (E_RNA)
where:
Base-Base interactions energy: -157.523
where: short stacking energy: -78.745
Base-Backbone interact. energy: 0.815
local terms energy: -113.390610
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -44.108
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -762.025064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.025064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.025064 (E_RNA)
where:
Base-Base interactions energy: -519.987
where: short stacking energy: -228.272
Base-Backbone interact. energy: -1.118
local terms energy: -240.920315
where:
bonds (distance) C4'-P energy: -44.432
bonds (distance) P-C4' energy: -46.143
flat angles C4'-P-C4' energy: -49.783
flat angles P-C4'-P energy: -35.851
tors. eta vs tors. theta energy: -64.711
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: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -721.061258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.061258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.061258 (E_RNA)
where:
Base-Base interactions energy: -486.626
where: short stacking energy: -209.857
Base-Backbone interact. energy: -1.020
local terms energy: -233.415007
where:
bonds (distance) C4'-P energy: -39.955
bonds (distance) P-C4' energy: -47.785
flat angles C4'-P-C4' energy: -48.079
flat angles P-C4'-P energy: -31.170
tors. eta vs tors. theta energy: -66.426
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: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -727.883010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.883010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.883010 (E_RNA)
where:
Base-Base interactions energy: -508.022
where: short stacking energy: -220.402
Base-Backbone interact. energy: 1.036
local terms energy: -220.897527
where:
bonds (distance) C4'-P energy: -42.758
bonds (distance) P-C4' energy: -43.162
flat angles C4'-P-C4' energy: -35.857
flat angles P-C4'-P energy: -32.842
tors. eta vs tors. theta energy: -66.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -706.599685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.599685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.599685 (E_RNA)
where:
Base-Base interactions energy: -477.849
where: short stacking energy: -221.507
Base-Backbone interact. energy: -2.307
local terms energy: -226.443536
where:
bonds (distance) C4'-P energy: -45.465
bonds (distance) P-C4' energy: -33.422
flat angles C4'-P-C4' energy: -45.622
flat angles P-C4'-P energy: -30.861
tors. eta vs tors. theta energy: -71.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -610.030525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.030525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.030525 (E_RNA)
where:
Base-Base interactions energy: -411.957
where: short stacking energy: -177.303
Base-Backbone interact. energy: -0.514
local terms energy: -197.559890
where:
bonds (distance) C4'-P energy: -40.769
bonds (distance) P-C4' energy: -43.848
flat angles C4'-P-C4' energy: -43.356
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -53.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -564.419116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.419116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.419116 (E_RNA)
where:
Base-Base interactions energy: -369.373
where: short stacking energy: -177.014
Base-Backbone interact. energy: 0.771
local terms energy: -195.816566
where:
bonds (distance) C4'-P energy: -39.115
bonds (distance) P-C4' energy: -41.459
flat angles C4'-P-C4' energy: -41.915
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -48.164
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: 408
Temperature: 1.200000
Total energy: -526.728682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.728682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.728682 (E_RNA)
where:
Base-Base interactions energy: -351.315
where: short stacking energy: -157.970
Base-Backbone interact. energy: -1.030
local terms energy: -174.384145
where:
bonds (distance) C4'-P energy: -40.567
bonds (distance) P-C4' energy: -32.538
flat angles C4'-P-C4' energy: -35.175
flat angles P-C4'-P energy: -26.212
tors. eta vs tors. theta energy: -39.893
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: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -437.483682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.483682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.483682 (E_RNA)
where:
Base-Base interactions energy: -276.943
where: short stacking energy: -149.007
Base-Backbone interact. energy: -0.085
local terms energy: -160.456344
where:
bonds (distance) C4'-P energy: -34.347
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -37.067
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -29.695
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: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -373.941964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.941964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.941964 (E_RNA)
where:
Base-Base interactions energy: -232.744
where: short stacking energy: -111.838
Base-Backbone interact. energy: 0.310
local terms energy: -141.507964
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -35.357
flat angles C4'-P-C4' energy: -36.109
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -15.136
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: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -283.018274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.018274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.018274 (E_RNA)
where:
Base-Base interactions energy: -134.217
where: short stacking energy: -90.747
Base-Backbone interact. energy: 2.912
local terms energy: -151.713381
where:
bonds (distance) C4'-P energy: -42.335
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -34.362
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -19.130
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: 4
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -755.681297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.681297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.681297 (E_RNA)
where:
Base-Base interactions energy: -523.275
where: short stacking energy: -222.776
Base-Backbone interact. energy: -1.318
local terms energy: -231.088863
where:
bonds (distance) C4'-P energy: -40.513
bonds (distance) P-C4' energy: -45.516
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -34.873
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: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -721.842530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.842530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.842530 (E_RNA)
where:
Base-Base interactions energy: -490.265
where: short stacking energy: -218.753
Base-Backbone interact. energy: -0.867
local terms energy: -230.710490
where:
bonds (distance) C4'-P energy: -37.952
bonds (distance) P-C4' energy: -45.124
flat angles C4'-P-C4' energy: -49.958
flat angles P-C4'-P energy: -35.106
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: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -719.326920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.326920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.326920 (E_RNA)
where:
Base-Base interactions energy: -495.150
where: short stacking energy: -209.664
Base-Backbone interact. energy: 0.632
local terms energy: -224.809100
where:
bonds (distance) C4'-P energy: -42.161
bonds (distance) P-C4' energy: -46.085
flat angles C4'-P-C4' energy: -44.402
flat angles P-C4'-P energy: -25.469
tors. eta vs tors. theta energy: -66.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -672.232632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.232632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.232632 (E_RNA)
where:
Base-Base interactions energy: -453.034
where: short stacking energy: -208.420
Base-Backbone interact. energy: -0.828
local terms energy: -218.371357
where:
bonds (distance) C4'-P energy: -38.831
bonds (distance) P-C4' energy: -34.733
flat angles C4'-P-C4' energy: -48.904
flat angles P-C4'-P energy: -34.146
tors. eta vs tors. theta energy: -61.758
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: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -628.778041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.778041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.778041 (E_RNA)
where:
Base-Base interactions energy: -415.590
where: short stacking energy: -190.762
Base-Backbone interact. energy: -1.139
local terms energy: -212.049642
where:
bonds (distance) C4'-P energy: -38.488
bonds (distance) P-C4' energy: -41.526
flat angles C4'-P-C4' energy: -42.177
flat angles P-C4'-P energy: -33.305
tors. eta vs tors. theta energy: -56.553
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: 7
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -545.242053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.242053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.242053 (E_RNA)
where:
Base-Base interactions energy: -377.275
where: short stacking energy: -155.506
Base-Backbone interact. energy: -1.782
local terms energy: -166.184920
where:
bonds (distance) C4'-P energy: -38.996
bonds (distance) P-C4' energy: -36.860
flat angles C4'-P-C4' energy: -37.467
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -30.817
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: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -508.756005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.756005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.756005 (E_RNA)
where:
Base-Base interactions energy: -319.543
where: short stacking energy: -144.654
Base-Backbone interact. energy: -0.969
local terms energy: -188.243996
where:
bonds (distance) C4'-P energy: -41.110
bonds (distance) P-C4' energy: -43.785
flat angles C4'-P-C4' energy: -37.307
flat angles P-C4'-P energy: -26.167
tors. eta vs tors. theta energy: -39.875
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: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -425.863496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.863496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.863496 (E_RNA)
where:
Base-Base interactions energy: -269.616
where: short stacking energy: -125.454
Base-Backbone interact. energy: -0.872
local terms energy: -155.375509
where:
bonds (distance) C4'-P energy: -30.614
bonds (distance) P-C4' energy: -45.372
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -28.163
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: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -371.745757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.745757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.745757 (E_RNA)
where:
Base-Base interactions energy: -227.037
where: short stacking energy: -111.209
Base-Backbone interact. energy: -1.506
local terms energy: -143.202543
where:
bonds (distance) C4'-P energy: -32.897
bonds (distance) P-C4' energy: -41.463
flat angles C4'-P-C4' energy: -27.100
flat angles P-C4'-P energy: -18.898
tors. eta vs tors. theta energy: -22.845
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: 10, replica: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -288.287490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.287490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.287490 (E_RNA)
where:
Base-Base interactions energy: -155.026
where: short stacking energy: -92.103
Base-Backbone interact. energy: 1.089
local terms energy: -134.350721
where:
bonds (distance) C4'-P energy: -36.339
bonds (distance) P-C4' energy: -37.084
flat angles C4'-P-C4' energy: -34.022
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -6.977
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: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -762.621290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.621290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.621290 (E_RNA)
where:
Base-Base interactions energy: -532.946
where: short stacking energy: -222.552
Base-Backbone interact. energy: 2.080
local terms energy: -231.755751
where:
bonds (distance) C4'-P energy: -41.627
bonds (distance) P-C4' energy: -43.864
flat angles C4'-P-C4' energy: -53.091
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -61.301
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: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -738.630084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.630084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.630084 (E_RNA)
where:
Base-Base interactions energy: -500.750
where: short stacking energy: -228.884
Base-Backbone interact. energy: -0.005
local terms energy: -237.874970
where:
bonds (distance) C4'-P energy: -46.051
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -44.130
flat angles P-C4'-P energy: -28.071
tors. eta vs tors. theta energy: -71.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -705.885863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.885863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.885863 (E_RNA)
where:
Base-Base interactions energy: -493.244
where: short stacking energy: -206.579
Base-Backbone interact. energy: -0.839
local terms energy: -211.802947
where:
bonds (distance) C4'-P energy: -42.770
bonds (distance) P-C4' energy: -36.515
flat angles C4'-P-C4' energy: -47.601
flat angles P-C4'-P energy: -29.389
tors. eta vs tors. theta energy: -55.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -659.139484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.139484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.139484 (E_RNA)
where:
Base-Base interactions energy: -457.955
where: short stacking energy: -197.057
Base-Backbone interact. energy: -0.887
local terms energy: -200.297018
where:
bonds (distance) C4'-P energy: -31.194
bonds (distance) P-C4' energy: -42.115
flat angles C4'-P-C4' energy: -45.947
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: -56.182
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: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -636.928821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.928821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.928821 (E_RNA)
where:
Base-Base interactions energy: -445.456
where: short stacking energy: -198.768
Base-Backbone interact. energy: -2.466
local terms energy: -189.006961
where:
bonds (distance) C4'-P energy: -37.008
bonds (distance) P-C4' energy: -34.995
flat angles C4'-P-C4' energy: -34.962
flat angles P-C4'-P energy: -31.429
tors. eta vs tors. theta energy: -50.613
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: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -579.473839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.473839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.473839 (E_RNA)
where:
Base-Base interactions energy: -394.221
where: short stacking energy: -169.862
Base-Backbone interact. energy: 0.917
local terms energy: -186.169894
where:
bonds (distance) C4'-P energy: -34.147
bonds (distance) P-C4' energy: -38.138
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -39.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -529.985675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.985675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.985675 (E_RNA)
where:
Base-Base interactions energy: -332.942
where: short stacking energy: -150.573
Base-Backbone interact. energy: -0.403
local terms energy: -196.640863
where:
bonds (distance) C4'-P energy: -41.175
bonds (distance) P-C4' energy: -44.090
flat angles C4'-P-C4' energy: -43.067
flat angles P-C4'-P energy: -27.237
tors. eta vs tors. theta energy: -41.072
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: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -437.038580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.038580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.038580 (E_RNA)
where:
Base-Base interactions energy: -263.732
where: short stacking energy: -124.833
Base-Backbone interact. energy: -1.837
local terms energy: -171.469319
where:
bonds (distance) C4'-P energy: -38.769
bonds (distance) P-C4' energy: -36.772
flat angles C4'-P-C4' energy: -41.282
flat angles P-C4'-P energy: -31.332
tors. eta vs tors. theta energy: -23.315
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: 9, replica: 8
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -368.898319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.898319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.898319 (E_RNA)
where:
Base-Base interactions energy: -233.025
where: short stacking energy: -104.294
Base-Backbone interact. energy: -1.410
local terms energy: -134.463420
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -35.112
flat angles C4'-P-C4' energy: -25.210
flat angles P-C4'-P energy: -21.096
tors. eta vs tors. theta energy: -15.661
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: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -265.280372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.280372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.280372 (E_RNA)
where:
Base-Base interactions energy: -135.575
where: short stacking energy: -79.818
Base-Backbone interact. energy: -1.137
local terms energy: -128.568972
where:
bonds (distance) C4'-P energy: -33.489
bonds (distance) P-C4' energy: -41.222
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -16.042
tors. eta vs tors. theta energy: -5.457
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: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -734.353833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.353833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.353833 (E_RNA)
where:
Base-Base interactions energy: -509.677
where: short stacking energy: -210.790
Base-Backbone interact. energy: -0.274
local terms energy: -224.403028
where:
bonds (distance) C4'-P energy: -46.207
bonds (distance) P-C4' energy: -37.841
flat angles C4'-P-C4' energy: -48.219
flat angles P-C4'-P energy: -31.310
tors. eta vs tors. theta energy: -60.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -743.505796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.505796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.505796 (E_RNA)
where:
Base-Base interactions energy: -523.354
where: short stacking energy: -216.030
Base-Backbone interact. energy: -0.191
local terms energy: -219.960636
where:
bonds (distance) C4'-P energy: -44.320
bonds (distance) P-C4' energy: -38.508
flat angles C4'-P-C4' energy: -47.324
flat angles P-C4'-P energy: -30.112
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: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -727.254992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.254992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.254992 (E_RNA)
where:
Base-Base interactions energy: -495.406
where: short stacking energy: -230.663
Base-Backbone interact. energy: -0.012
local terms energy: -231.836651
where:
bonds (distance) C4'-P energy: -36.755
bonds (distance) P-C4' energy: -41.593
flat angles C4'-P-C4' energy: -46.332
flat angles P-C4'-P energy: -35.630
tors. eta vs tors. theta energy: -71.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -641.386824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.386824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.386824 (E_RNA)
where:
Base-Base interactions energy: -437.535
where: short stacking energy: -190.851
Base-Backbone interact. energy: -1.242
local terms energy: -202.609875
where:
bonds (distance) C4'-P energy: -40.054
bonds (distance) P-C4' energy: -42.112
flat angles C4'-P-C4' energy: -38.505
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: -53.257
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: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -646.489974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.489974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.489974 (E_RNA)
where:
Base-Base interactions energy: -431.689
where: short stacking energy: -196.287
Base-Backbone interact. energy: -0.065
local terms energy: -214.735386
where:
bonds (distance) C4'-P energy: -38.753
bonds (distance) P-C4' energy: -37.347
flat angles C4'-P-C4' energy: -47.160
flat angles P-C4'-P energy: -33.193
tors. eta vs tors. theta energy: -58.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -549.765599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.765599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.765599 (E_RNA)
where:
Base-Base interactions energy: -368.797
where: short stacking energy: -165.348
Base-Backbone interact. energy: 0.581
local terms energy: -181.549524
where:
bonds (distance) C4'-P energy: -41.640
bonds (distance) P-C4' energy: -39.674
flat angles C4'-P-C4' energy: -35.701
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -34.256
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: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -554.627986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.627986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.627986 (E_RNA)
where:
Base-Base interactions energy: -356.583
where: short stacking energy: -161.300
Base-Backbone interact. energy: -0.743
local terms energy: -197.301175
where:
bonds (distance) C4'-P energy: -31.570
bonds (distance) P-C4' energy: -42.251
flat angles C4'-P-C4' energy: -47.033
flat angles P-C4'-P energy: -23.358
tors. eta vs tors. theta energy: -53.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -434.525898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.525898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.525898 (E_RNA)
where:
Base-Base interactions energy: -278.925
where: short stacking energy: -141.014
Base-Backbone interact. energy: 1.216
local terms energy: -156.816757
where:
bonds (distance) C4'-P energy: -27.309
bonds (distance) P-C4' energy: -38.476
flat angles C4'-P-C4' energy: -42.620
flat angles P-C4'-P energy: -22.211
tors. eta vs tors. theta energy: -26.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -348.079039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.079039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.079039 (E_RNA)
where:
Base-Base interactions energy: -195.535
where: short stacking energy: -111.566
Base-Backbone interact. energy: -0.844
local terms energy: -151.700286
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -44.792
flat angles C4'-P-C4' energy: -41.191
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -263.435832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.435832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.435832 (E_RNA)
where:
Base-Base interactions energy: -127.692
where: short stacking energy: -94.077
Base-Backbone interact. energy: -0.650
local terms energy: -135.093452
where:
bonds (distance) C4'-P energy: -25.268
bonds (distance) P-C4' energy: -47.475
flat angles C4'-P-C4' energy: -37.201
flat angles P-C4'-P energy: -17.972
tors. eta vs tors. theta energy: -7.177
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: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -740.840384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.840384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.840384 (E_RNA)
where:
Base-Base interactions energy: -502.191
where: short stacking energy: -209.653
Base-Backbone interact. energy: -1.737
local terms energy: -236.912260
where:
bonds (distance) C4'-P energy: -49.892
bonds (distance) P-C4' energy: -45.199
flat angles C4'-P-C4' energy: -44.654
flat angles P-C4'-P energy: -36.496
tors. eta vs tors. theta energy: -60.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -740.344833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.344833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.344833 (E_RNA)
where:
Base-Base interactions energy: -508.292
where: short stacking energy: -220.162
Base-Backbone interact. energy: -0.857
local terms energy: -231.195603
where:
bonds (distance) C4'-P energy: -41.265
bonds (distance) P-C4' energy: -43.696
flat angles C4'-P-C4' energy: -51.253
flat angles P-C4'-P energy: -30.547
tors. eta vs tors. theta energy: -64.435
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: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -711.929047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.929047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.929047 (E_RNA)
where:
Base-Base interactions energy: -487.345
where: short stacking energy: -213.967
Base-Backbone interact. energy: -0.760
local terms energy: -223.824064
where:
bonds (distance) C4'-P energy: -44.882
bonds (distance) P-C4' energy: -45.167
flat angles C4'-P-C4' energy: -46.124
flat angles P-C4'-P energy: -22.995
tors. eta vs tors. theta energy: -64.656
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: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -638.822907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.822907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.822907 (E_RNA)
where:
Base-Base interactions energy: -428.708
where: short stacking energy: -193.628
Base-Backbone interact. energy: -0.699
local terms energy: -209.416141
where:
bonds (distance) C4'-P energy: -40.497
bonds (distance) P-C4' energy: -41.732
flat angles C4'-P-C4' energy: -45.930
flat angles P-C4'-P energy: -26.277
tors. eta vs tors. theta energy: -54.981
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: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -679.561846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.561846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.561846 (E_RNA)
where:
Base-Base interactions energy: -448.672
where: short stacking energy: -207.721
Base-Backbone interact. energy: -0.934
local terms energy: -229.955517
where:
bonds (distance) C4'-P energy: -43.850
bonds (distance) P-C4' energy: -40.067
flat angles C4'-P-C4' energy: -45.479
flat angles P-C4'-P energy: -35.970
tors. eta vs tors. theta energy: -64.590
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: 7
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -533.569946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.569946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.569946 (E_RNA)
where:
Base-Base interactions energy: -356.363
where: short stacking energy: -152.635
Base-Backbone interact. energy: -0.172
local terms energy: -177.035155
where:
bonds (distance) C4'-P energy: -34.555
bonds (distance) P-C4' energy: -37.113
flat angles C4'-P-C4' energy: -35.770
flat angles P-C4'-P energy: -33.952
tors. eta vs tors. theta energy: -35.645
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: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -534.012844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.012844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.012844 (E_RNA)
where:
Base-Base interactions energy: -369.248
where: short stacking energy: -155.537
Base-Backbone interact. energy: 0.354
local terms energy: -165.118745
where:
bonds (distance) C4'-P energy: -31.036
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -38.875
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -33.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -424.977784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.977784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.977784 (E_RNA)
where:
Base-Base interactions energy: -252.824
where: short stacking energy: -125.646
Base-Backbone interact. energy: -0.492
local terms energy: -171.662128
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -41.924
flat angles C4'-P-C4' energy: -37.757
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -30.484
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: 10
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -233.682641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.682641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.682641 (E_RNA)
where:
Base-Base interactions energy: -112.419
where: short stacking energy: -71.974
Base-Backbone interact. energy: -0.084
local terms energy: -121.179751
where:
bonds (distance) C4'-P energy: -30.514
bonds (distance) P-C4' energy: -44.339
flat angles C4'-P-C4' energy: -28.649
flat angles P-C4'-P energy: -17.269
tors. eta vs tors. theta energy: -0.408
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: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -322.148242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.148242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.148242 (E_RNA)
where:
Base-Base interactions energy: -190.769
where: short stacking energy: -81.669
Base-Backbone interact. energy: 0.573
local terms energy: -131.952581
where:
bonds (distance) C4'-P energy: -38.291
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -19.648
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -748.211407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.211407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.211407 (E_RNA)
where:
Base-Base interactions energy: -521.354
where: short stacking energy: -231.566
Base-Backbone interact. energy: -0.409
local terms energy: -226.448674
where:
bonds (distance) C4'-P energy: -41.617
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -43.387
flat angles P-C4'-P energy: -39.753
tors. eta vs tors. theta energy: -61.493
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: 2, replica: 6
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -757.519900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.519900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.519900 (E_RNA)
where:
Base-Base interactions energy: -518.807
where: short stacking energy: -229.672
Base-Backbone interact. energy: -0.710
local terms energy: -238.002917
where:
bonds (distance) C4'-P energy: -41.256
bonds (distance) P-C4' energy: -45.181
flat angles C4'-P-C4' energy: -50.263
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -74.725
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: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -723.529691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.529691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.529691 (E_RNA)
where:
Base-Base interactions energy: -488.867
where: short stacking energy: -205.775
Base-Backbone interact. energy: 1.771
local terms energy: -236.434084
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -42.535
flat angles C4'-P-C4' energy: -51.248
flat angles P-C4'-P energy: -38.326
tors. eta vs tors. theta energy: -66.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -705.357484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.357484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.357484 (E_RNA)
where:
Base-Base interactions energy: -476.653
where: short stacking energy: -214.965
Base-Backbone interact. energy: -1.439
local terms energy: -227.266002
where:
bonds (distance) C4'-P energy: -40.878
bonds (distance) P-C4' energy: -40.203
flat angles C4'-P-C4' energy: -49.796
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -63.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -623.604082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.604082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.604082 (E_RNA)
where:
Base-Base interactions energy: -415.047
where: short stacking energy: -188.488
Base-Backbone interact. energy: -0.371
local terms energy: -208.185993
where:
bonds (distance) C4'-P energy: -37.759
bonds (distance) P-C4' energy: -44.890
flat angles C4'-P-C4' energy: -38.752
flat angles P-C4'-P energy: -30.111
tors. eta vs tors. theta energy: -56.675
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: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -548.391631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.391631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.391631 (E_RNA)
where:
Base-Base interactions energy: -370.953
where: short stacking energy: -157.348
Base-Backbone interact. energy: -1.100
local terms energy: -176.338283
where:
bonds (distance) C4'-P energy: -26.415
bonds (distance) P-C4' energy: -42.030
flat angles C4'-P-C4' energy: -49.221
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -37.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -519.871063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.871063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.871063 (E_RNA)
where:
Base-Base interactions energy: -335.644
where: short stacking energy: -163.973
Base-Backbone interact. energy: 0.864
local terms energy: -185.091313
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -44.312
flat angles C4'-P-C4' energy: -34.832
flat angles P-C4'-P energy: -20.000
tors. eta vs tors. theta energy: -44.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -433.501700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.501700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.501700 (E_RNA)
where:
Base-Base interactions energy: -251.552
where: short stacking energy: -131.984
Base-Backbone interact. energy: -0.472
local terms energy: -181.477648
where:
bonds (distance) C4'-P energy: -38.897
bonds (distance) P-C4' energy: -40.759
flat angles C4'-P-C4' energy: -47.868
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -226.325080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.325080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.325080 (E_RNA)
where:
Base-Base interactions energy: -96.682
where: short stacking energy: -75.632
Base-Backbone interact. energy: 4.712
local terms energy: -134.355275
where:
bonds (distance) C4'-P energy: -39.092
bonds (distance) P-C4' energy: -40.167
flat angles C4'-P-C4' energy: -32.795
flat angles P-C4'-P energy: -20.335
tors. eta vs tors. theta energy: -1.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -301.633864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.633864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.633864 (E_RNA)
where:
Base-Base interactions energy: -172.776
where: short stacking energy: -98.587
Base-Backbone interact. energy: -1.726
local terms energy: -127.132426
where:
bonds (distance) C4'-P energy: -36.170
bonds (distance) P-C4' energy: -39.710
flat angles C4'-P-C4' energy: -34.035
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -1.182
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: 6
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -757.686430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.686430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.686430 (E_RNA)
where:
Base-Base interactions energy: -520.094
where: short stacking energy: -230.338
Base-Backbone interact. energy: -0.521
local terms energy: -237.070851
where:
bonds (distance) C4'-P energy: -39.039
bonds (distance) P-C4' energy: -43.426
flat angles C4'-P-C4' energy: -48.463
flat angles P-C4'-P energy: -32.686
tors. eta vs tors. theta energy: -73.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -738.338058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.338058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.338058 (E_RNA)
where:
Base-Base interactions energy: -506.497
where: short stacking energy: -222.131
Base-Backbone interact. energy: -1.164
local terms energy: -230.676741
where:
bonds (distance) C4'-P energy: -40.534
bonds (distance) P-C4' energy: -45.660
flat angles C4'-P-C4' energy: -45.857
flat angles P-C4'-P energy: -35.269
tors. eta vs tors. theta energy: -63.356
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: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -714.890893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.890893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.890893 (E_RNA)
where:
Base-Base interactions energy: -496.548
where: short stacking energy: -212.768
Base-Backbone interact. energy: -0.659
local terms energy: -217.683371
where:
bonds (distance) C4'-P energy: -38.583
bonds (distance) P-C4' energy: -40.014
flat angles C4'-P-C4' energy: -41.178
flat angles P-C4'-P energy: -28.610
tors. eta vs tors. theta energy: -69.298
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: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -698.290404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.290404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.290404 (E_RNA)
where:
Base-Base interactions energy: -475.315
where: short stacking energy: -205.386
Base-Backbone interact. energy: -0.481
local terms energy: -222.494046
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -40.885
flat angles C4'-P-C4' energy: -51.609
flat angles P-C4'-P energy: -32.449
tors. eta vs tors. theta energy: -60.375
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: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -632.783847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.783847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.783847 (E_RNA)
where:
Base-Base interactions energy: -438.651
where: short stacking energy: -206.474
Base-Backbone interact. energy: -0.567
local terms energy: -193.566011
where:
bonds (distance) C4'-P energy: -28.309
bonds (distance) P-C4' energy: -36.752
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -60.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -574.900198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.900198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.900198 (E_RNA)
where:
Base-Base interactions energy: -390.393
where: short stacking energy: -179.809
Base-Backbone interact. energy: 1.331
local terms energy: -185.837407
where:
bonds (distance) C4'-P energy: -34.374
bonds (distance) P-C4' energy: -39.945
flat angles C4'-P-C4' energy: -40.328
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -36.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -487.954621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.954621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.954621 (E_RNA)
where:
Base-Base interactions energy: -316.013
where: short stacking energy: -128.410
Base-Backbone interact. energy: 1.184
local terms energy: -173.125765
where:
bonds (distance) C4'-P energy: -37.075
bonds (distance) P-C4' energy: -43.312
flat angles C4'-P-C4' energy: -42.285
flat angles P-C4'-P energy: -20.858
tors. eta vs tors. theta energy: -29.595
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: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -423.419507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.419507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.419507 (E_RNA)
where:
Base-Base interactions energy: -259.719
where: short stacking energy: -133.807
Base-Backbone interact. energy: 0.273
local terms energy: -163.973734
where:
bonds (distance) C4'-P energy: -40.492
bonds (distance) P-C4' energy: -38.238
flat angles C4'-P-C4' energy: -33.453
flat angles P-C4'-P energy: -24.714
tors. eta vs tors. theta energy: -27.077
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: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -304.651630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.651630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.651630 (E_RNA)
where:
Base-Base interactions energy: -168.274
where: short stacking energy: -95.166
Base-Backbone interact. energy: 1.727
local terms energy: -138.105172
where:
bonds (distance) C4'-P energy: -32.577
bonds (distance) P-C4' energy: -43.359
flat angles C4'-P-C4' energy: -38.476
flat angles P-C4'-P energy: -17.780
tors. eta vs tors. theta energy: -5.913
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: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -217.849714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.849714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.849714 (E_RNA)
where:
Base-Base interactions energy: -93.731
where: short stacking energy: -81.668
Base-Backbone interact. energy: 0.094
local terms energy: -124.212480
where:
bonds (distance) C4'-P energy: -34.795
bonds (distance) P-C4' energy: -34.258
flat angles C4'-P-C4' energy: -30.242
flat angles P-C4'-P energy: -12.307
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -763.186489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.186489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.186489 (E_RNA)
where:
Base-Base interactions energy: -515.449
where: short stacking energy: -226.975
Base-Backbone interact. energy: -1.613
local terms energy: -246.124398
where:
bonds (distance) C4'-P energy: -47.322
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -52.257
flat angles P-C4'-P energy: -28.096
tors. eta vs tors. theta energy: -70.819
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: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -721.558191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.558191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.558191 (E_RNA)
where:
Base-Base interactions energy: -504.466
where: short stacking energy: -214.389
Base-Backbone interact. energy: -0.555
local terms energy: -216.537593
where:
bonds (distance) C4'-P energy: -48.753
bonds (distance) P-C4' energy: -41.185
flat angles C4'-P-C4' energy: -43.835
flat angles P-C4'-P energy: -27.290
tors. eta vs tors. theta energy: -55.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -718.960275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.960275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.960275 (E_RNA)
where:
Base-Base interactions energy: -480.480
where: short stacking energy: -215.171
Base-Backbone interact. energy: -0.674
local terms energy: -237.806200
where:
bonds (distance) C4'-P energy: -44.948
bonds (distance) P-C4' energy: -44.001
flat angles C4'-P-C4' energy: -50.814
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -65.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -667.794679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.794679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.794679 (E_RNA)
where:
Base-Base interactions energy: -446.467
where: short stacking energy: -203.197
Base-Backbone interact. energy: -0.163
local terms energy: -221.164179
where:
bonds (distance) C4'-P energy: -43.050
bonds (distance) P-C4' energy: -40.530
flat angles C4'-P-C4' energy: -44.394
flat angles P-C4'-P energy: -29.837
tors. eta vs tors. theta energy: -63.353
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: 5, replica: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -693.721555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.721555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.721555 (E_RNA)
where:
Base-Base interactions energy: -491.885
where: short stacking energy: -198.949
Base-Backbone interact. energy: -0.616
local terms energy: -201.220340
where:
bonds (distance) C4'-P energy: -29.499
bonds (distance) P-C4' energy: -35.227
flat angles C4'-P-C4' energy: -41.852
flat angles P-C4'-P energy: -30.315
tors. eta vs tors. theta energy: -64.327
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: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -563.709964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.709964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.709964 (E_RNA)
where:
Base-Base interactions energy: -367.190
where: short stacking energy: -176.293
Base-Backbone interact. energy: -0.013
local terms energy: -196.507006
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -39.614
flat angles C4'-P-C4' energy: -46.671
flat angles P-C4'-P energy: -25.196
tors. eta vs tors. theta energy: -44.004
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: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -504.988129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.988129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.988129 (E_RNA)
where:
Base-Base interactions energy: -330.106
where: short stacking energy: -147.575
Base-Backbone interact. energy: -1.874
local terms energy: -173.007913
where:
bonds (distance) C4'-P energy: -32.528
bonds (distance) P-C4' energy: -42.962
flat angles C4'-P-C4' energy: -40.588
flat angles P-C4'-P energy: -23.095
tors. eta vs tors. theta energy: -33.836
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: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -470.574324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.574324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.574324 (E_RNA)
where:
Base-Base interactions energy: -306.773
where: short stacking energy: -157.098
Base-Backbone interact. energy: -1.242
local terms energy: -162.559425
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -35.871
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -37.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -315.214730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.214730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.214730 (E_RNA)
where:
Base-Base interactions energy: -188.005
where: short stacking energy: -91.698
Base-Backbone interact. energy: -0.786
local terms energy: -126.424325
where:
bonds (distance) C4'-P energy: -30.202
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -28.406
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -13.999
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: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -207.550488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.550488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.550488 (E_RNA)
where:
Base-Base interactions energy: -87.815
where: short stacking energy: -72.973
Base-Backbone interact. energy: -1.730
local terms energy: -118.005193
where:
bonds (distance) C4'-P energy: -33.044
bonds (distance) P-C4' energy: -33.454
flat angles C4'-P-C4' energy: -28.376
flat angles P-C4'-P energy: -17.225
tors. eta vs tors. theta energy: -5.907
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: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -739.920613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.920613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.920613 (E_RNA)
where:
Base-Base interactions energy: -516.565
where: short stacking energy: -223.581
Base-Backbone interact. energy: -0.351
local terms energy: -223.004460
where:
bonds (distance) C4'-P energy: -37.038
bonds (distance) P-C4' energy: -39.342
flat angles C4'-P-C4' energy: -48.457
flat angles P-C4'-P energy: -36.362
tors. eta vs tors. theta energy: -61.805
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: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -743.276560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.276560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.276560 (E_RNA)
where:
Base-Base interactions energy: -507.411
where: short stacking energy: -209.277
Base-Backbone interact. energy: -0.555
local terms energy: -235.309874
where:
bonds (distance) C4'-P energy: -42.258
bonds (distance) P-C4' energy: -40.461
flat angles C4'-P-C4' energy: -51.719
flat angles P-C4'-P energy: -33.804
tors. eta vs tors. theta energy: -67.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -710.321148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.321148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.321148 (E_RNA)
where:
Base-Base interactions energy: -485.435
where: short stacking energy: -223.828
Base-Backbone interact. energy: -1.905
local terms energy: -222.980933
where:
bonds (distance) C4'-P energy: -37.773
bonds (distance) P-C4' energy: -37.074
flat angles C4'-P-C4' energy: -46.991
flat angles P-C4'-P energy: -33.524
tors. eta vs tors. theta energy: -67.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -660.756277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.756277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.756277 (E_RNA)
where:
Base-Base interactions energy: -422.098
where: short stacking energy: -200.983
Base-Backbone interact. energy: -1.529
local terms energy: -237.130071
where:
bonds (distance) C4'-P energy: -42.816
bonds (distance) P-C4' energy: -47.344
flat angles C4'-P-C4' energy: -47.713
flat angles P-C4'-P energy: -36.125
tors. eta vs tors. theta energy: -63.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -672.524314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.524314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.524314 (E_RNA)
where:
Base-Base interactions energy: -459.947
where: short stacking energy: -205.309
Base-Backbone interact. energy: 0.190
local terms energy: -212.767494
where:
bonds (distance) C4'-P energy: -37.136
bonds (distance) P-C4' energy: -44.306
flat angles C4'-P-C4' energy: -41.717
flat angles P-C4'-P energy: -32.736
tors. eta vs tors. theta energy: -56.872
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: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -564.435928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.435928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.435928 (E_RNA)
where:
Base-Base interactions energy: -373.847
where: short stacking energy: -179.402
Base-Backbone interact. energy: -0.175
local terms energy: -190.414499
where:
bonds (distance) C4'-P energy: -42.096
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -44.246
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -37.566
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: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -507.781811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.781811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.781811 (E_RNA)
where:
Base-Base interactions energy: -341.748
where: short stacking energy: -156.284
Base-Backbone interact. energy: -0.427
local terms energy: -165.606997
where:
bonds (distance) C4'-P energy: -29.842
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -35.483
flat angles P-C4'-P energy: -32.750
tors. eta vs tors. theta energy: -30.456
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: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -422.572969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.572969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.572969 (E_RNA)
where:
Base-Base interactions energy: -255.987
where: short stacking energy: -132.333
Base-Backbone interact. energy: -0.462
local terms energy: -166.123434
where:
bonds (distance) C4'-P energy: -37.491
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -34.949
flat angles P-C4'-P energy: -25.336
tors. eta vs tors. theta energy: -29.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -300.422922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.422922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.422922 (E_RNA)
where:
Base-Base interactions energy: -177.797
where: short stacking energy: -90.739
Base-Backbone interact. energy: -0.587
local terms energy: -122.039574
where:
bonds (distance) C4'-P energy: -36.332
bonds (distance) P-C4' energy: -34.312
flat angles C4'-P-C4' energy: -21.927
flat angles P-C4'-P energy: -17.576
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: 10, replica: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -229.755780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.755780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.755780 (E_RNA)
where:
Base-Base interactions energy: -96.973
where: short stacking energy: -89.983
Base-Backbone interact. energy: -0.282
local terms energy: -132.500702
where:
bonds (distance) C4'-P energy: -37.833
bonds (distance) P-C4' energy: -39.210
flat angles C4'-P-C4' energy: -26.095
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -744.240784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.240784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.240784 (E_RNA)
where:
Base-Base interactions energy: -514.090
where: short stacking energy: -213.961
Base-Backbone interact. energy: -0.658
local terms energy: -229.492865
where:
bonds (distance) C4'-P energy: -34.467
bonds (distance) P-C4' energy: -46.565
flat angles C4'-P-C4' energy: -46.244
flat angles P-C4'-P energy: -34.966
tors. eta vs tors. theta energy: -67.251
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: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -728.237707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.237707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.237707 (E_RNA)
where:
Base-Base interactions energy: -500.348
where: short stacking energy: -224.221
Base-Backbone interact. energy: 2.521
local terms energy: -230.410144
where:
bonds (distance) C4'-P energy: -37.209
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -52.042
flat angles P-C4'-P energy: -34.630
tors. eta vs tors. theta energy: -61.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -744.078048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.078048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.078048 (E_RNA)
where:
Base-Base interactions energy: -505.299
where: short stacking energy: -217.723
Base-Backbone interact. energy: -1.577
local terms energy: -237.201622
where:
bonds (distance) C4'-P energy: -47.770
bonds (distance) P-C4' energy: -41.925
flat angles C4'-P-C4' energy: -48.888
flat angles P-C4'-P energy: -33.482
tors. eta vs tors. theta energy: -65.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -698.626301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.626301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.626301 (E_RNA)
where:
Base-Base interactions energy: -497.067
where: short stacking energy: -209.031
Base-Backbone interact. energy: -0.576
local terms energy: -200.983680
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -32.077
flat angles C4'-P-C4' energy: -48.429
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -49.904
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: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -619.930708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.930708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.930708 (E_RNA)
where:
Base-Base interactions energy: -427.155
where: short stacking energy: -191.110
Base-Backbone interact. energy: -0.236
local terms energy: -192.539372
where:
bonds (distance) C4'-P energy: -32.961
bonds (distance) P-C4' energy: -39.513
flat angles C4'-P-C4' energy: -42.530
flat angles P-C4'-P energy: -26.694
tors. eta vs tors. theta energy: -50.840
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: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -538.075657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.075657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.075657 (E_RNA)
where:
Base-Base interactions energy: -355.108
where: short stacking energy: -158.531
Base-Backbone interact. energy: -0.274
local terms energy: -182.693079
where:
bonds (distance) C4'-P energy: -36.547
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -42.584
flat angles P-C4'-P energy: -25.634
tors. eta vs tors. theta energy: -39.711
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: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -500.959074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.959074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.959074 (E_RNA)
where:
Base-Base interactions energy: -351.314
where: short stacking energy: -144.331
Base-Backbone interact. energy: 1.260
local terms energy: -150.904999
where:
bonds (distance) C4'-P energy: -40.074
bonds (distance) P-C4' energy: -29.366
flat angles C4'-P-C4' energy: -34.859
flat angles P-C4'-P energy: -19.327
tors. eta vs tors. theta energy: -27.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -433.212536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.212536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.212536 (E_RNA)
where:
Base-Base interactions energy: -267.428
where: short stacking energy: -136.297
Base-Backbone interact. energy: 0.254
local terms energy: -166.038554
where:
bonds (distance) C4'-P energy: -31.510
bonds (distance) P-C4' energy: -36.637
flat angles C4'-P-C4' energy: -44.302
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: -28.424
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: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -304.995061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.995061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.995061 (E_RNA)
where:
Base-Base interactions energy: -169.152
where: short stacking energy: -91.284
Base-Backbone interact. energy: -0.014
local terms energy: -135.829019
where:
bonds (distance) C4'-P energy: -30.004
bonds (distance) P-C4' energy: -31.936
flat angles C4'-P-C4' energy: -42.360
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -4.283
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: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -204.398154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.398154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.398154 (E_RNA)
where:
Base-Base interactions energy: -75.355
where: short stacking energy: -64.188
Base-Backbone interact. energy: 1.393
local terms energy: -130.436745
where:
bonds (distance) C4'-P energy: -41.522
bonds (distance) P-C4' energy: -38.656
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -3.227
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: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -746.016392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.016392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.016392 (E_RNA)
where:
Base-Base interactions energy: -509.671
where: short stacking energy: -216.586
Base-Backbone interact. energy: -1.030
local terms energy: -235.315674
where:
bonds (distance) C4'-P energy: -39.242
bonds (distance) P-C4' energy: -46.558
flat angles C4'-P-C4' energy: -50.196
flat angles P-C4'-P energy: -36.952
tors. eta vs tors. theta energy: -62.367
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: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -709.608860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.608860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.608860 (E_RNA)
where:
Base-Base interactions energy: -480.640
where: short stacking energy: -218.655
Base-Backbone interact. energy: -0.466
local terms energy: -228.502510
where:
bonds (distance) C4'-P energy: -39.689
bonds (distance) P-C4' energy: -36.023
flat angles C4'-P-C4' energy: -48.278
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -70.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -708.163650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.163650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.163650 (E_RNA)
where:
Base-Base interactions energy: -480.322
where: short stacking energy: -213.077
Base-Backbone interact. energy: 0.164
local terms energy: -228.006278
where:
bonds (distance) C4'-P energy: -37.122
bonds (distance) P-C4' energy: -42.824
flat angles C4'-P-C4' energy: -45.190
flat angles P-C4'-P energy: -41.770
tors. eta vs tors. theta energy: -61.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -693.870365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.870365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.870365 (E_RNA)
where:
Base-Base interactions energy: -486.276
where: short stacking energy: -208.877
Base-Backbone interact. energy: -0.735
local terms energy: -206.860213
where:
bonds (distance) C4'-P energy: -43.489
bonds (distance) P-C4' energy: -46.086
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -23.217
tors. eta vs tors. theta energy: -59.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -588.419156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.419156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.419156 (E_RNA)
where:
Base-Base interactions energy: -397.495
where: short stacking energy: -179.145
Base-Backbone interact. energy: -0.437
local terms energy: -190.487285
where:
bonds (distance) C4'-P energy: -35.917
bonds (distance) P-C4' energy: -46.046
flat angles C4'-P-C4' energy: -41.801
flat angles P-C4'-P energy: -26.644
tors. eta vs tors. theta energy: -40.080
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: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -604.735990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.735990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.735990 (E_RNA)
where:
Base-Base interactions energy: -395.190
where: short stacking energy: -179.361
Base-Backbone interact. energy: 1.321
local terms energy: -210.867322
where:
bonds (distance) C4'-P energy: -38.089
bonds (distance) P-C4' energy: -43.939
flat angles C4'-P-C4' energy: -39.922
flat angles P-C4'-P energy: -29.097
tors. eta vs tors. theta energy: -59.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -476.027163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.027163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.027163 (E_RNA)
where:
Base-Base interactions energy: -310.332
where: short stacking energy: -147.372
Base-Backbone interact. energy: -0.584
local terms energy: -165.111432
where:
bonds (distance) C4'-P energy: -33.337
bonds (distance) P-C4' energy: -30.872
flat angles C4'-P-C4' energy: -41.767
flat angles P-C4'-P energy: -27.375
tors. eta vs tors. theta energy: -31.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -413.904503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.904503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.904503 (E_RNA)
where:
Base-Base interactions energy: -238.135
where: short stacking energy: -123.549
Base-Backbone interact. energy: 0.392
local terms energy: -176.161545
where:
bonds (distance) C4'-P energy: -42.610
bonds (distance) P-C4' energy: -43.705
flat angles C4'-P-C4' energy: -39.474
flat angles P-C4'-P energy: -26.562
tors. eta vs tors. theta energy: -23.811
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: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -325.598136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.598136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.598136 (E_RNA)
where:
Base-Base interactions energy: -195.498
where: short stacking energy: -80.944
Base-Backbone interact. energy: -0.768
local terms energy: -129.331794
where:
bonds (distance) C4'-P energy: -32.845
bonds (distance) P-C4' energy: -38.454
flat angles C4'-P-C4' energy: -33.742
flat angles P-C4'-P energy: -15.944
tors. eta vs tors. theta energy: -8.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -197.575753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.575753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.575753 (E_RNA)
where:
Base-Base interactions energy: -65.260
where: short stacking energy: -55.599
Base-Backbone interact. energy: 4.619
local terms energy: -136.935127
where:
bonds (distance) C4'-P energy: -34.144
bonds (distance) P-C4' energy: -40.549
flat angles C4'-P-C4' energy: -38.930
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: -0.358
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: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -747.359724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.359724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.359724 (E_RNA)
where:
Base-Base interactions energy: -518.186
where: short stacking energy: -227.221
Base-Backbone interact. energy: -1.937
local terms energy: -227.235849
where:
bonds (distance) C4'-P energy: -35.235
bonds (distance) P-C4' energy: -42.625
flat angles C4'-P-C4' energy: -49.815
flat angles P-C4'-P energy: -37.041
tors. eta vs tors. theta energy: -62.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -735.227136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.227136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.227136 (E_RNA)
where:
Base-Base interactions energy: -503.712
where: short stacking energy: -227.307
Base-Backbone interact. energy: -0.673
local terms energy: -230.841901
where:
bonds (distance) C4'-P energy: -37.854
bonds (distance) P-C4' energy: -38.045
flat angles C4'-P-C4' energy: -53.565
flat angles P-C4'-P energy: -33.210
tors. eta vs tors. theta energy: -68.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -706.934816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.934816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.934816 (E_RNA)
where:
Base-Base interactions energy: -485.804
where: short stacking energy: -208.811
Base-Backbone interact. energy: -0.266
local terms energy: -220.864554
where:
bonds (distance) C4'-P energy: -45.570
bonds (distance) P-C4' energy: -44.053
flat angles C4'-P-C4' energy: -41.810
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -62.403
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: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -693.982689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.982689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.982689 (E_RNA)
where:
Base-Base interactions energy: -468.092
where: short stacking energy: -223.853
Base-Backbone interact. energy: -1.863
local terms energy: -224.027841
where:
bonds (distance) C4'-P energy: -45.564
bonds (distance) P-C4' energy: -39.169
flat angles C4'-P-C4' energy: -47.428
flat angles P-C4'-P energy: -31.068
tors. eta vs tors. theta energy: -60.799
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: 7
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -568.603158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.603158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.603158 (E_RNA)
where:
Base-Base interactions energy: -367.911
where: short stacking energy: -165.056
Base-Backbone interact. energy: -0.818
local terms energy: -199.874170
where:
bonds (distance) C4'-P energy: -39.831
bonds (distance) P-C4' energy: -48.558
flat angles C4'-P-C4' energy: -41.632
flat angles P-C4'-P energy: -30.395
tors. eta vs tors. theta energy: -39.458
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: 6, replica: 1
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -622.397238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.397238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.397238 (E_RNA)
where:
Base-Base interactions energy: -422.378
where: short stacking energy: -185.459
Base-Backbone interact. energy: -0.644
local terms energy: -199.375461
where:
bonds (distance) C4'-P energy: -37.116
bonds (distance) P-C4' energy: -39.551
flat angles C4'-P-C4' energy: -33.039
flat angles P-C4'-P energy: -35.707
tors. eta vs tors. theta energy: -53.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -499.137168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.137168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.137168 (E_RNA)
where:
Base-Base interactions energy: -324.648
where: short stacking energy: -138.509
Base-Backbone interact. energy: -0.955
local terms energy: -173.533514
where:
bonds (distance) C4'-P energy: -30.641
bonds (distance) P-C4' energy: -43.278
flat angles C4'-P-C4' energy: -36.483
flat angles P-C4'-P energy: -30.153
tors. eta vs tors. theta energy: -32.978
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: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -404.891284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.891284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.891284 (E_RNA)
where:
Base-Base interactions energy: -253.151
where: short stacking energy: -131.675
Base-Backbone interact. energy: 0.111
local terms energy: -151.850491
where:
bonds (distance) C4'-P energy: -28.890
bonds (distance) P-C4' energy: -40.676
flat angles C4'-P-C4' energy: -44.128
flat angles P-C4'-P energy: -18.375
tors. eta vs tors. theta energy: -19.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -326.251510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.251510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.251510 (E_RNA)
where:
Base-Base interactions energy: -184.151
where: short stacking energy: -90.601
Base-Backbone interact. energy: 1.155
local terms energy: -143.255375
where:
bonds (distance) C4'-P energy: -45.660
bonds (distance) P-C4' energy: -41.032
flat angles C4'-P-C4' energy: -28.796
flat angles P-C4'-P energy: -19.614
tors. eta vs tors. theta energy: -8.152
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: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -201.544330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.544330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.544330 (E_RNA)
where:
Base-Base interactions energy: -93.066
where: short stacking energy: -60.324
Base-Backbone interact. energy: -0.745
local terms energy: -107.732909
where:
bonds (distance) C4'-P energy: -43.332
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: 7.723
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: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -736.260912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.260912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.260912 (E_RNA)
where:
Base-Base interactions energy: -508.189
where: short stacking energy: -217.764
Base-Backbone interact. energy: -1.343
local terms energy: -226.729460
where:
bonds (distance) C4'-P energy: -39.392
bonds (distance) P-C4' energy: -47.526
flat angles C4'-P-C4' energy: -50.808
flat angles P-C4'-P energy: -31.304
tors. eta vs tors. theta energy: -57.699
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: 6
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -743.618456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.618456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.618456 (E_RNA)
where:
Base-Base interactions energy: -512.952
where: short stacking energy: -236.597
Base-Backbone interact. energy: -0.405
local terms energy: -230.261558
where:
bonds (distance) C4'-P energy: -45.069
bonds (distance) P-C4' energy: -40.107
flat angles C4'-P-C4' energy: -46.206
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: -70.263
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: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -714.023376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.023376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.023376 (E_RNA)
where:
Base-Base interactions energy: -486.389
where: short stacking energy: -206.676
Base-Backbone interact. energy: -0.657
local terms energy: -226.977405
where:
bonds (distance) C4'-P energy: -45.356
bonds (distance) P-C4' energy: -42.144
flat angles C4'-P-C4' energy: -43.101
flat angles P-C4'-P energy: -35.263
tors. eta vs tors. theta energy: -61.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -704.859019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.859019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.859019 (E_RNA)
where:
Base-Base interactions energy: -488.641
where: short stacking energy: -210.127
Base-Backbone interact. energy: -0.664
local terms energy: -215.554896
where:
bonds (distance) C4'-P energy: -44.961
bonds (distance) P-C4' energy: -40.300
flat angles C4'-P-C4' energy: -43.244
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -61.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -636.473022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.473022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.473022 (E_RNA)
where:
Base-Base interactions energy: -432.478
where: short stacking energy: -193.520
Base-Backbone interact. energy: 0.273
local terms energy: -204.267726
where:
bonds (distance) C4'-P energy: -34.438
bonds (distance) P-C4' energy: -40.964
flat angles C4'-P-C4' energy: -38.097
flat angles P-C4'-P energy: -30.638
tors. eta vs tors. theta energy: -60.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -582.515273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.515273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.515273 (E_RNA)
where:
Base-Base interactions energy: -383.245
where: short stacking energy: -174.560
Base-Backbone interact. energy: -1.528
local terms energy: -197.742662
where:
bonds (distance) C4'-P energy: -34.026
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -42.462
flat angles P-C4'-P energy: -34.217
tors. eta vs tors. theta energy: -46.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -502.000669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.000669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.000669 (E_RNA)
where:
Base-Base interactions energy: -333.100
where: short stacking energy: -156.855
Base-Backbone interact. energy: -0.190
local terms energy: -168.710622
where:
bonds (distance) C4'-P energy: -36.151
bonds (distance) P-C4' energy: -44.391
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -32.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -364.143883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.143883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.143883 (E_RNA)
where:
Base-Base interactions energy: -211.046
where: short stacking energy: -110.430
Base-Backbone interact. energy: -1.463
local terms energy: -151.635409
where:
bonds (distance) C4'-P energy: -39.238
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -29.071
tors. eta vs tors. theta energy: -21.593
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: 9, replica: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -313.050576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.050576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.050576 (E_RNA)
where:
Base-Base interactions energy: -175.046
where: short stacking energy: -94.836
Base-Backbone interact. energy: 2.841
local terms energy: -140.845521
where:
bonds (distance) C4'-P energy: -38.822
bonds (distance) P-C4' energy: -45.311
flat angles C4'-P-C4' energy: -35.610
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -8.915
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: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -239.547239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.547239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.547239 (E_RNA)
where:
Base-Base interactions energy: -112.126
where: short stacking energy: -80.790
Base-Backbone interact. energy: -0.922
local terms energy: -126.498528
where:
bonds (distance) C4'-P energy: -29.444
bonds (distance) P-C4' energy: -33.596
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -31.192
tors. eta vs tors. theta energy: 1.106
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: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -749.418834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.418834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.418834 (E_RNA)
where:
Base-Base interactions energy: -518.443
where: short stacking energy: -225.500
Base-Backbone interact. energy: -1.492
local terms energy: -229.484294
where:
bonds (distance) C4'-P energy: -36.644
bonds (distance) P-C4' energy: -46.441
flat angles C4'-P-C4' energy: -49.719
flat angles P-C4'-P energy: -32.095
tors. eta vs tors. theta energy: -64.586
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: 2, replica: 6
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -766.076014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.076014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.076014 (E_RNA)
where:
Base-Base interactions energy: -529.083
where: short stacking energy: -227.358
Base-Backbone interact. energy: -1.082
local terms energy: -235.911209
where:
bonds (distance) C4'-P energy: -48.207
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -52.624
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -68.647
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: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -708.493159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.493159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.493159 (E_RNA)
where:
Base-Base interactions energy: -486.391
where: short stacking energy: -197.508
Base-Backbone interact. energy: -0.561
local terms energy: -221.541357
where:
bonds (distance) C4'-P energy: -39.574
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -46.371
flat angles P-C4'-P energy: -35.040
tors. eta vs tors. theta energy: -58.841
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: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -679.214863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.214863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.214863 (E_RNA)
where:
Base-Base interactions energy: -471.701
where: short stacking energy: -208.096
Base-Backbone interact. energy: -0.115
local terms energy: -207.399143
where:
bonds (distance) C4'-P energy: -30.920
bonds (distance) P-C4' energy: -35.562
flat angles C4'-P-C4' energy: -45.924
flat angles P-C4'-P energy: -33.455
tors. eta vs tors. theta energy: -61.538
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: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -621.125258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.125258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.125258 (E_RNA)
where:
Base-Base interactions energy: -420.639
where: short stacking energy: -193.558
Base-Backbone interact. energy: -0.788
local terms energy: -199.698154
where:
bonds (distance) C4'-P energy: -35.950
bonds (distance) P-C4' energy: -43.549
flat angles C4'-P-C4' energy: -45.574
flat angles P-C4'-P energy: -22.619
tors. eta vs tors. theta energy: -52.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -534.543963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.543963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.543963 (E_RNA)
where:
Base-Base interactions energy: -340.981
where: short stacking energy: -160.570
Base-Backbone interact. energy: -0.565
local terms energy: -192.998309
where:
bonds (distance) C4'-P energy: -37.279
bonds (distance) P-C4' energy: -44.561
flat angles C4'-P-C4' energy: -39.161
flat angles P-C4'-P energy: -29.113
tors. eta vs tors. theta energy: -42.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -501.028024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.028024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.028024 (E_RNA)
where:
Base-Base interactions energy: -339.637
where: short stacking energy: -142.069
Base-Backbone interact. energy: 1.225
local terms energy: -162.616507
where:
bonds (distance) C4'-P energy: -29.336
bonds (distance) P-C4' energy: -41.199
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -39.199
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: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -365.419974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.419974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.419974 (E_RNA)
where:
Base-Base interactions energy: -205.384
where: short stacking energy: -110.929
Base-Backbone interact. energy: -0.727
local terms energy: -159.309314
where:
bonds (distance) C4'-P energy: -36.784
bonds (distance) P-C4' energy: -42.725
flat angles C4'-P-C4' energy: -45.385
flat angles P-C4'-P energy: -19.985
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -308.107594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.107594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.107594 (E_RNA)
where:
Base-Base interactions energy: -170.883
where: short stacking energy: -108.699
Base-Backbone interact. energy: -1.274
local terms energy: -135.950636
where:
bonds (distance) C4'-P energy: -30.502
bonds (distance) P-C4' energy: -34.871
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -24.813
tors. eta vs tors. theta energy: -15.912
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: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -204.540884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.540884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.540884 (E_RNA)
where:
Base-Base interactions energy: -80.307
where: short stacking energy: -60.589
Base-Backbone interact. energy: 0.037
local terms energy: -124.271019
where:
bonds (distance) C4'-P energy: -31.163
bonds (distance) P-C4' energy: -30.959
flat angles C4'-P-C4' energy: -36.557
flat angles P-C4'-P energy: -20.756
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -764.588432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.588432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.588432 (E_RNA)
where:
Base-Base interactions energy: -538.082
where: short stacking energy: -233.058
Base-Backbone interact. energy: -0.158
local terms energy: -226.348802
where:
bonds (distance) C4'-P energy: -38.836
bonds (distance) P-C4' energy: -42.924
flat angles C4'-P-C4' energy: -41.223
flat angles P-C4'-P energy: -33.069
tors. eta vs tors. theta energy: -70.296
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: 2, replica: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -727.733901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.733901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.733901 (E_RNA)
where:
Base-Base interactions energy: -512.244
where: short stacking energy: -219.782
Base-Backbone interact. energy: -0.712
local terms energy: -214.778306
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -32.750
flat angles C4'-P-C4' energy: -46.537
flat angles P-C4'-P energy: -36.312
tors. eta vs tors. theta energy: -57.884
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: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -703.107276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.107276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.107276 (E_RNA)
where:
Base-Base interactions energy: -464.596
where: short stacking energy: -208.192
Base-Backbone interact. energy: -0.089
local terms energy: -238.422609
where:
bonds (distance) C4'-P energy: -38.302
bonds (distance) P-C4' energy: -46.311
flat angles C4'-P-C4' energy: -47.101
flat angles P-C4'-P energy: -40.036
tors. eta vs tors. theta energy: -66.673
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: 2
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -716.999699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.999699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.999699 (E_RNA)
where:
Base-Base interactions energy: -489.605
where: short stacking energy: -216.771
Base-Backbone interact. energy: -1.229
local terms energy: -226.165615
where:
bonds (distance) C4'-P energy: -42.557
bonds (distance) P-C4' energy: -40.428
flat angles C4'-P-C4' energy: -46.437
flat angles P-C4'-P energy: -32.146
tors. eta vs tors. theta energy: -64.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -625.777154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.777154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.777154 (E_RNA)
where:
Base-Base interactions energy: -423.808
where: short stacking energy: -186.062
Base-Backbone interact. energy: -1.297
local terms energy: -200.672558
where:
bonds (distance) C4'-P energy: -31.667
bonds (distance) P-C4' energy: -36.495
flat angles C4'-P-C4' energy: -42.780
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -55.564
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: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -566.211183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.211183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.211183 (E_RNA)
where:
Base-Base interactions energy: -366.481
where: short stacking energy: -188.732
Base-Backbone interact. energy: -0.018
local terms energy: -199.711735
where:
bonds (distance) C4'-P energy: -38.853
bonds (distance) P-C4' energy: -40.633
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -43.271
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: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -479.608798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.608798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.608798 (E_RNA)
where:
Base-Base interactions energy: -307.721
where: short stacking energy: -135.386
Base-Backbone interact. energy: -1.054
local terms energy: -170.833659
where:
bonds (distance) C4'-P energy: -37.965
bonds (distance) P-C4' energy: -41.691
flat angles C4'-P-C4' energy: -40.646
flat angles P-C4'-P energy: -25.080
tors. eta vs tors. theta energy: -25.452
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: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -381.506433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.506433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.506433 (E_RNA)
where:
Base-Base interactions energy: -206.311
where: short stacking energy: -116.813
Base-Backbone interact. energy: -0.420
local terms energy: -174.774919
where:
bonds (distance) C4'-P energy: -40.223
bonds (distance) P-C4' energy: -37.210
flat angles C4'-P-C4' energy: -38.435
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: -33.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -296.533350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.533350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.533350 (E_RNA)
where:
Base-Base interactions energy: -166.993
where: short stacking energy: -95.928
Base-Backbone interact. energy: -1.093
local terms energy: -128.447441
where:
bonds (distance) C4'-P energy: -28.716
bonds (distance) P-C4' energy: -36.207
flat angles C4'-P-C4' energy: -30.782
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -13.010
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: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -212.248178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.248178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.248178 (E_RNA)
where:
Base-Base interactions energy: -76.073
where: short stacking energy: -54.879
Base-Backbone interact. energy: -0.518
local terms energy: -135.656848
where:
bonds (distance) C4'-P energy: -43.520
bonds (distance) P-C4' energy: -45.442
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -19.525
tors. eta vs tors. theta energy: 2.594
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: 1, replica: 6
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -767.321399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.321399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.321399 (E_RNA)
where:
Base-Base interactions energy: -525.968
where: short stacking energy: -226.419
Base-Backbone interact. energy: -3.063
local terms energy: -238.290388
where:
bonds (distance) C4'-P energy: -41.910
bonds (distance) P-C4' energy: -42.963
flat angles C4'-P-C4' energy: -48.053
flat angles P-C4'-P energy: -32.554
tors. eta vs tors. theta energy: -72.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -717.320716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.320716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.320716 (E_RNA)
where:
Base-Base interactions energy: -487.259
where: short stacking energy: -207.416
Base-Backbone interact. energy: -2.890
local terms energy: -227.171232
where:
bonds (distance) C4'-P energy: -40.440
bonds (distance) P-C4' energy: -46.836
flat angles C4'-P-C4' energy: -49.024
flat angles P-C4'-P energy: -36.267
tors. eta vs tors. theta energy: -54.605
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: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -697.683129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.683129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.683129 (E_RNA)
where:
Base-Base interactions energy: -467.538
where: short stacking energy: -206.740
Base-Backbone interact. energy: -0.274
local terms energy: -229.871464
where:
bonds (distance) C4'-P energy: -41.519
bonds (distance) P-C4' energy: -43.933
flat angles C4'-P-C4' energy: -49.437
flat angles P-C4'-P energy: -32.967
tors. eta vs tors. theta energy: -62.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -703.204207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.204207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.204207 (E_RNA)
where:
Base-Base interactions energy: -482.744
where: short stacking energy: -214.995
Base-Backbone interact. energy: -0.507
local terms energy: -219.953854
where:
bonds (distance) C4'-P energy: -38.085
bonds (distance) P-C4' energy: -41.426
flat angles C4'-P-C4' energy: -41.204
flat angles P-C4'-P energy: -31.810
tors. eta vs tors. theta energy: -67.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -601.111461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.111461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.111461 (E_RNA)
where:
Base-Base interactions energy: -409.280
where: short stacking energy: -200.757
Base-Backbone interact. energy: -0.685
local terms energy: -191.146779
where:
bonds (distance) C4'-P energy: -31.535
bonds (distance) P-C4' energy: -37.531
flat angles C4'-P-C4' energy: -45.823
flat angles P-C4'-P energy: -24.441
tors. eta vs tors. theta energy: -51.816
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: 6, replica: 3
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -480.604130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.604130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.604130 (E_RNA)
where:
Base-Base interactions energy: -300.805
where: short stacking energy: -150.755
Base-Backbone interact. energy: -0.244
local terms energy: -179.555323
where:
bonds (distance) C4'-P energy: -40.261
bonds (distance) P-C4' energy: -43.126
flat angles C4'-P-C4' energy: -41.984
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -29.296
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: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -501.696875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.696875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.696875 (E_RNA)
where:
Base-Base interactions energy: -324.250
where: short stacking energy: -146.289
Base-Backbone interact. energy: -1.087
local terms energy: -176.360176
where:
bonds (distance) C4'-P energy: -37.177
bonds (distance) P-C4' energy: -36.308
flat angles C4'-P-C4' energy: -38.017
flat angles P-C4'-P energy: -37.404
tors. eta vs tors. theta energy: -27.454
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: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -366.578217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.578217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.578217 (E_RNA)
where:
Base-Base interactions energy: -204.601
where: short stacking energy: -118.350
Base-Backbone interact. energy: -0.541
local terms energy: -161.436320
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -28.062
flat angles C4'-P-C4' energy: -39.776
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -322.933002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.933002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.933002 (E_RNA)
where:
Base-Base interactions energy: -181.479
where: short stacking energy: -90.238
Base-Backbone interact. energy: -0.310
local terms energy: -141.143622
where:
bonds (distance) C4'-P energy: -46.555
bonds (distance) P-C4' energy: -28.728
flat angles C4'-P-C4' energy: -41.072
flat angles P-C4'-P energy: -23.069
tors. eta vs tors. theta energy: -1.720
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: 423
Temperature: 1.350000
Total energy: -195.659832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.659832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.659832 (E_RNA)
where:
Base-Base interactions energy: -82.502
where: short stacking energy: -78.431
Base-Backbone interact. energy: -0.290
local terms energy: -112.867941
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -30.664
flat angles C4'-P-C4' energy: -35.636
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: 0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -774.649976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.649976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.649976 (E_RNA)
where:
Base-Base interactions energy: -531.385
where: short stacking energy: -221.530
Base-Backbone interact. energy: 0.015
local terms energy: -243.279460
where:
bonds (distance) C4'-P energy: -46.325
bonds (distance) P-C4' energy: -50.779
flat angles C4'-P-C4' energy: -43.721
flat angles P-C4'-P energy: -32.498
tors. eta vs tors. theta energy: -69.956
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: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -726.331517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.331517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.331517 (E_RNA)
where:
Base-Base interactions energy: -503.931
where: short stacking energy: -208.525
Base-Backbone interact. energy: 2.133
local terms energy: -224.533141
where:
bonds (distance) C4'-P energy: -39.182
bonds (distance) P-C4' energy: -47.955
flat angles C4'-P-C4' energy: -46.092
flat angles P-C4'-P energy: -32.249
tors. eta vs tors. theta energy: -59.055
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: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -700.943727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.943727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.943727 (E_RNA)
where:
Base-Base interactions energy: -477.469
where: short stacking energy: -197.384
Base-Backbone interact. energy: -0.061
local terms energy: -223.413065
where:
bonds (distance) C4'-P energy: -42.189
bonds (distance) P-C4' energy: -42.116
flat angles C4'-P-C4' energy: -47.698
flat angles P-C4'-P energy: -32.072
tors. eta vs tors. theta energy: -59.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -675.402351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.402351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.402351 (E_RNA)
where:
Base-Base interactions energy: -454.564
where: short stacking energy: -193.188
Base-Backbone interact. energy: -1.585
local terms energy: -219.253272
where:
bonds (distance) C4'-P energy: -48.264
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -38.010
flat angles P-C4'-P energy: -36.224
tors. eta vs tors. theta energy: -57.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -633.808696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.808696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.808696 (E_RNA)
where:
Base-Base interactions energy: -418.538
where: short stacking energy: -180.441
Base-Backbone interact. energy: -0.435
local terms energy: -214.835335
where:
bonds (distance) C4'-P energy: -42.584
bonds (distance) P-C4' energy: -43.230
flat angles C4'-P-C4' energy: -43.868
flat angles P-C4'-P energy: -28.817
tors. eta vs tors. theta energy: -56.337
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: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -479.676516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.676516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.676516 (E_RNA)
where:
Base-Base interactions energy: -291.824
where: short stacking energy: -142.302
Base-Backbone interact. energy: -1.027
local terms energy: -186.826206
where:
bonds (distance) C4'-P energy: -42.175
bonds (distance) P-C4' energy: -49.420
flat angles C4'-P-C4' energy: -41.828
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: -27.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -503.228191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.228191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.228191 (E_RNA)
where:
Base-Base interactions energy: -320.375
where: short stacking energy: -139.066
Base-Backbone interact. energy: -1.988
local terms energy: -180.864641
where:
bonds (distance) C4'-P energy: -38.113
bonds (distance) P-C4' energy: -40.224
flat angles C4'-P-C4' energy: -35.097
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -37.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -361.634107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.634107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.634107 (E_RNA)
where:
Base-Base interactions energy: -214.547
where: short stacking energy: -121.974
Base-Backbone interact. energy: -0.646
local terms energy: -146.440442
where:
bonds (distance) C4'-P energy: -30.641
bonds (distance) P-C4' energy: -30.836
flat angles C4'-P-C4' energy: -41.568
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -14.283
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: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -367.794324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.794324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.794324 (E_RNA)
where:
Base-Base interactions energy: -225.970
where: short stacking energy: -98.766
Base-Backbone interact. energy: -1.500
local terms energy: -140.323900
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -45.986
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -7.564
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: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -189.509961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.509961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.509961 (E_RNA)
where:
Base-Base interactions energy: -75.292
where: short stacking energy: -58.940
Base-Backbone interact. energy: 2.283
local terms energy: -116.501246
where:
bonds (distance) C4'-P energy: -28.582
bonds (distance) P-C4' energy: -38.546
flat angles C4'-P-C4' energy: -26.267
flat angles P-C4'-P energy: -24.549
tors. eta vs tors. theta energy: 1.443
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: 1, replica: 6
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -766.988023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.988023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.988023 (E_RNA)
where:
Base-Base interactions energy: -531.467
where: short stacking energy: -235.142
Base-Backbone interact. energy: 1.149
local terms energy: -236.669654
where:
bonds (distance) C4'-P energy: -40.625
bonds (distance) P-C4' energy: -47.053
flat angles C4'-P-C4' energy: -48.990
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -67.094
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -729.232883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.232883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.232883 (E_RNA)
where:
Base-Base interactions energy: -515.952
where: short stacking energy: -209.423
Base-Backbone interact. energy: -1.005
local terms energy: -212.276641
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -42.097
flat angles C4'-P-C4' energy: -45.201
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -55.616
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: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -735.510476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.510476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.510476 (E_RNA)
where:
Base-Base interactions energy: -506.948
where: short stacking energy: -207.451
Base-Backbone interact. energy: -0.438
local terms energy: -228.124462
where:
bonds (distance) C4'-P energy: -42.303
bonds (distance) P-C4' energy: -41.188
flat angles C4'-P-C4' energy: -50.495
flat angles P-C4'-P energy: -31.293
tors. eta vs tors. theta energy: -62.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -670.445521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.445521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.445521 (E_RNA)
where:
Base-Base interactions energy: -444.903
where: short stacking energy: -203.533
Base-Backbone interact. energy: -1.619
local terms energy: -223.923276
where:
bonds (distance) C4'-P energy: -43.644
bonds (distance) P-C4' energy: -37.916
flat angles C4'-P-C4' energy: -46.866
flat angles P-C4'-P energy: -39.296
tors. eta vs tors. theta energy: -56.201
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: 5, replica: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -621.636373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.636373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.636373 (E_RNA)
where:
Base-Base interactions energy: -410.750
where: short stacking energy: -167.882
Base-Backbone interact. energy: -1.655
local terms energy: -209.231023
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -44.373
flat angles C4'-P-C4' energy: -46.104
flat angles P-C4'-P energy: -22.644
tors. eta vs tors. theta energy: -52.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -530.144518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.144518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.144518 (E_RNA)
where:
Base-Base interactions energy: -349.513
where: short stacking energy: -156.620
Base-Backbone interact. energy: -2.209
local terms energy: -178.422283
where:
bonds (distance) C4'-P energy: -35.738
bonds (distance) P-C4' energy: -35.956
flat angles C4'-P-C4' energy: -43.964
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -36.799
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: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -449.750445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.750445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.750445 (E_RNA)
where:
Base-Base interactions energy: -282.651
where: short stacking energy: -132.993
Base-Backbone interact. energy: -0.898
local terms energy: -166.201284
where:
bonds (distance) C4'-P energy: -36.749
bonds (distance) P-C4' energy: -45.140
flat angles C4'-P-C4' energy: -41.505
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -330.045388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.045388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.045388 (E_RNA)
where:
Base-Base interactions energy: -186.193
where: short stacking energy: -77.516
Base-Backbone interact. energy: -0.779
local terms energy: -143.073214
where:
bonds (distance) C4'-P energy: -36.979
bonds (distance) P-C4' energy: -45.066
flat angles C4'-P-C4' energy: -37.754
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -0.873
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: 9
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -367.470374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.470374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.470374 (E_RNA)
where:
Base-Base interactions energy: -210.722
where: short stacking energy: -116.144
Base-Backbone interact. energy: -1.265
local terms energy: -155.484076
where:
bonds (distance) C4'-P energy: -33.898
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -30.217
flat angles P-C4'-P energy: -27.602
tors. eta vs tors. theta energy: -26.196
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: 425
Temperature: 1.350000
Total energy: -190.282682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.282682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.282682 (E_RNA)
where:
Base-Base interactions energy: -63.590
where: short stacking energy: -58.585
Base-Backbone interact. energy: 5.426
local terms energy: -132.118506
where:
bonds (distance) C4'-P energy: -45.662
bonds (distance) P-C4' energy: -41.356
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -20.484
tors. eta vs tors. theta energy: 1.625
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: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -774.444517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.444517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.444517 (E_RNA)
where:
Base-Base interactions energy: -544.111
where: short stacking energy: -229.683
Base-Backbone interact. energy: 1.209
local terms energy: -231.542599
where:
bonds (distance) C4'-P energy: -47.578
bonds (distance) P-C4' energy: -37.558
flat angles C4'-P-C4' energy: -46.756
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: -63.993
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: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -729.734407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.734407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.734407 (E_RNA)
where:
Base-Base interactions energy: -518.550
where: short stacking energy: -217.318
Base-Backbone interact. energy: -1.223
local terms energy: -209.961779
where:
bonds (distance) C4'-P energy: -37.024
bonds (distance) P-C4' energy: -36.758
flat angles C4'-P-C4' energy: -42.622
flat angles P-C4'-P energy: -37.432
tors. eta vs tors. theta energy: -56.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -729.816844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.816844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.816844 (E_RNA)
where:
Base-Base interactions energy: -520.512
where: short stacking energy: -210.816
Base-Backbone interact. energy: -0.686
local terms energy: -208.618794
where:
bonds (distance) C4'-P energy: -34.964
bonds (distance) P-C4' energy: -36.668
flat angles C4'-P-C4' energy: -52.062
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -60.609
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: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -689.886174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.886174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.886174 (E_RNA)
where:
Base-Base interactions energy: -473.837
where: short stacking energy: -212.497
Base-Backbone interact. energy: -0.280
local terms energy: -215.769229
where:
bonds (distance) C4'-P energy: -42.462
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -36.312
flat angles P-C4'-P energy: -30.364
tors. eta vs tors. theta energy: -65.797
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: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -631.303462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.303462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.303462 (E_RNA)
where:
Base-Base interactions energy: -439.576
where: short stacking energy: -197.727
Base-Backbone interact. energy: -0.319
local terms energy: -191.408053
where:
bonds (distance) C4'-P energy: -32.626
bonds (distance) P-C4' energy: -37.941
flat angles C4'-P-C4' energy: -44.831
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -52.334
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: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -535.363585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.363585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.363585 (E_RNA)
where:
Base-Base interactions energy: -365.765
where: short stacking energy: -164.777
Base-Backbone interact. energy: -1.154
local terms energy: -168.444681
where:
bonds (distance) C4'-P energy: -36.705
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -38.907
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: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -473.312962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.312962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.312962 (E_RNA)
where:
Base-Base interactions energy: -290.699
where: short stacking energy: -137.375
Base-Backbone interact. energy: -0.401
local terms energy: -182.212177
where:
bonds (distance) C4'-P energy: -38.085
bonds (distance) P-C4' energy: -46.377
flat angles C4'-P-C4' energy: -47.119
flat angles P-C4'-P energy: -25.928
tors. eta vs tors. theta energy: -24.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -345.470735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.470735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.470735 (E_RNA)
where:
Base-Base interactions energy: -197.790
where: short stacking energy: -113.667
Base-Backbone interact. energy: -0.220
local terms energy: -147.460169
where:
bonds (distance) C4'-P energy: -35.494
bonds (distance) P-C4' energy: -39.597
flat angles C4'-P-C4' energy: -40.251
flat angles P-C4'-P energy: -17.810
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -355.073003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.073003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.073003 (E_RNA)
where:
Base-Base interactions energy: -201.429
where: short stacking energy: -106.249
Base-Backbone interact. energy: 0.725
local terms energy: -154.368626
where:
bonds (distance) C4'-P energy: -41.472
bonds (distance) P-C4' energy: -42.450
flat angles C4'-P-C4' energy: -33.833
flat angles P-C4'-P energy: -25.314
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: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -198.558701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.558701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.558701 (E_RNA)
where:
Base-Base interactions energy: -74.228
where: short stacking energy: -70.821
Base-Backbone interact. energy: 0.378
local terms energy: -124.708771
where:
bonds (distance) C4'-P energy: -20.694
bonds (distance) P-C4' energy: -36.320
flat angles C4'-P-C4' energy: -29.483
flat angles P-C4'-P energy: -24.165
tors. eta vs tors. theta energy: -14.047
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: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -767.024805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.024805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.024805 (E_RNA)
where:
Base-Base interactions energy: -531.213
where: short stacking energy: -237.327
Base-Backbone interact. energy: -0.683
local terms energy: -235.129554
where:
bonds (distance) C4'-P energy: -38.624
bonds (distance) P-C4' energy: -46.352
flat angles C4'-P-C4' energy: -45.614
flat angles P-C4'-P energy: -39.179
tors. eta vs tors. theta energy: -65.360
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: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -756.946830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.946830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.946830 (E_RNA)
where:
Base-Base interactions energy: -540.640
where: short stacking energy: -226.728
Base-Backbone interact. energy: -0.518
local terms energy: -215.789388
where:
bonds (distance) C4'-P energy: -36.475
bonds (distance) P-C4' energy: -38.577
flat angles C4'-P-C4' energy: -44.183
flat angles P-C4'-P energy: -32.782
tors. eta vs tors. theta energy: -63.773
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: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -712.304820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.304820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.304820 (E_RNA)
where:
Base-Base interactions energy: -494.064
where: short stacking energy: -202.424
Base-Backbone interact. energy: -1.119
local terms energy: -217.122021
where:
bonds (distance) C4'-P energy: -43.901
bonds (distance) P-C4' energy: -35.191
flat angles C4'-P-C4' energy: -42.807
flat angles P-C4'-P energy: -33.864
tors. eta vs tors. theta energy: -61.359
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: 5
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -686.235305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.235305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.235305 (E_RNA)
where:
Base-Base interactions energy: -454.977
where: short stacking energy: -201.957
Base-Backbone interact. energy: -0.882
local terms energy: -230.376554
where:
bonds (distance) C4'-P energy: -40.786
bonds (distance) P-C4' energy: -42.252
flat angles C4'-P-C4' energy: -49.480
flat angles P-C4'-P energy: -33.031
tors. eta vs tors. theta energy: -64.828
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: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -606.824205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.824205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.824205 (E_RNA)
where:
Base-Base interactions energy: -404.147
where: short stacking energy: -183.864
Base-Backbone interact. energy: -1.477
local terms energy: -201.199919
where:
bonds (distance) C4'-P energy: -40.374
bonds (distance) P-C4' energy: -40.194
flat angles C4'-P-C4' energy: -38.544
flat angles P-C4'-P energy: -32.954
tors. eta vs tors. theta energy: -49.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -545.684427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.684427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.684427 (E_RNA)
where:
Base-Base interactions energy: -344.972
where: short stacking energy: -156.278
Base-Backbone interact. energy: 0.327
local terms energy: -201.039012
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -42.527
flat angles C4'-P-C4' energy: -35.473
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: -44.538
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: 3
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -455.737119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.737119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.737119 (E_RNA)
where:
Base-Base interactions energy: -287.558
where: short stacking energy: -136.068
Base-Backbone interact. energy: -1.724
local terms energy: -166.455635
where:
bonds (distance) C4'-P energy: -35.837
bonds (distance) P-C4' energy: -35.886
flat angles C4'-P-C4' energy: -40.855
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -31.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -360.489480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.489480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.489480 (E_RNA)
where:
Base-Base interactions energy: -198.160
where: short stacking energy: -108.457
Base-Backbone interact. energy: -1.645
local terms energy: -160.685238
where:
bonds (distance) C4'-P energy: -41.253
bonds (distance) P-C4' energy: -42.625
flat angles C4'-P-C4' energy: -39.544
flat angles P-C4'-P energy: -26.382
tors. eta vs tors. theta energy: -10.882
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: 8
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -380.452831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.452831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.452831 (E_RNA)
where:
Base-Base interactions energy: -233.173
where: short stacking energy: -101.332
Base-Backbone interact. energy: 2.766
local terms energy: -150.045627
where:
bonds (distance) C4'-P energy: -44.217
bonds (distance) P-C4' energy: -38.923
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -11.509
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: 10, replica: 10
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -213.128768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.128768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.128768 (E_RNA)
where:
Base-Base interactions energy: -91.305
where: short stacking energy: -80.059
Base-Backbone interact. energy: 0.140
local terms energy: -121.963752
where:
bonds (distance) C4'-P energy: -36.191
bonds (distance) P-C4' energy: -33.326
flat angles C4'-P-C4' energy: -34.714
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -3.947
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: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -788.489671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.489671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.489671 (E_RNA)
where:
Base-Base interactions energy: -550.164
where: short stacking energy: -245.164
Base-Backbone interact. energy: -0.451
local terms energy: -237.875087
where:
bonds (distance) C4'-P energy: -40.634
bonds (distance) P-C4' energy: -43.492
flat angles C4'-P-C4' energy: -50.406
flat angles P-C4'-P energy: -32.238
tors. eta vs tors. theta energy: -71.104
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: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -760.262044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.262044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.262044 (E_RNA)
where:
Base-Base interactions energy: -531.608
where: short stacking energy: -225.451
Base-Backbone interact. energy: 0.860
local terms energy: -229.514160
where:
bonds (distance) C4'-P energy: -44.750
bonds (distance) P-C4' energy: -46.420
flat angles C4'-P-C4' energy: -42.863
flat angles P-C4'-P energy: -33.773
tors. eta vs tors. theta energy: -61.707
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: 3, replica: 5
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -688.936018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.936018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.936018 (E_RNA)
where:
Base-Base interactions energy: -478.573
where: short stacking energy: -201.770
Base-Backbone interact. energy: 0.461
local terms energy: -210.823950
where:
bonds (distance) C4'-P energy: -44.041
bonds (distance) P-C4' energy: -40.098
flat angles C4'-P-C4' energy: -41.965
flat angles P-C4'-P energy: -33.711
tors. eta vs tors. theta energy: -51.009
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: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -701.970822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.970822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.970822 (E_RNA)
where:
Base-Base interactions energy: -476.298
where: short stacking energy: -202.762
Base-Backbone interact. energy: -1.090
local terms energy: -224.582236
where:
bonds (distance) C4'-P energy: -45.236
bonds (distance) P-C4' energy: -39.353
flat angles C4'-P-C4' energy: -48.337
flat angles P-C4'-P energy: -34.054
tors. eta vs tors. theta energy: -57.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -613.002554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.002554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.002554 (E_RNA)
where:
Base-Base interactions energy: -408.333
where: short stacking energy: -183.661
Base-Backbone interact. energy: -0.762
local terms energy: -203.907226
where:
bonds (distance) C4'-P energy: -38.364
bonds (distance) P-C4' energy: -41.987
flat angles C4'-P-C4' energy: -38.787
flat angles P-C4'-P energy: -30.828
tors. eta vs tors. theta energy: -53.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -540.066523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.066523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.066523 (E_RNA)
where:
Base-Base interactions energy: -360.163
where: short stacking energy: -166.190
Base-Backbone interact. energy: -0.106
local terms energy: -179.796592
where:
bonds (distance) C4'-P energy: -29.433
bonds (distance) P-C4' energy: -37.418
flat angles C4'-P-C4' energy: -45.268
flat angles P-C4'-P energy: -25.482
tors. eta vs tors. theta energy: -42.196
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: 7, replica: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -453.659436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.659436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.659436 (E_RNA)
where:
Base-Base interactions energy: -291.864
where: short stacking energy: -146.415
Base-Backbone interact. energy: 2.184
local terms energy: -163.979415
where:
bonds (distance) C4'-P energy: -33.826
bonds (distance) P-C4' energy: -33.242
flat angles C4'-P-C4' energy: -40.742
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: -27.284
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: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -385.496912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.496912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.496912 (E_RNA)
where:
Base-Base interactions energy: -245.788
where: short stacking energy: -120.760
Base-Backbone interact. energy: -0.704
local terms energy: -139.005432
where:
bonds (distance) C4'-P energy: -34.312
bonds (distance) P-C4' energy: -37.350
flat angles C4'-P-C4' energy: -33.803
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -14.235
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: 9, replica: 8
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -374.674365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.674365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.674365 (E_RNA)
where:
Base-Base interactions energy: -209.248
where: short stacking energy: -106.023
Base-Backbone interact. energy: -0.779
local terms energy: -164.647317
where:
bonds (distance) C4'-P energy: -34.598
bonds (distance) P-C4' energy: -40.839
flat angles C4'-P-C4' energy: -42.606
flat angles P-C4'-P energy: -28.743
tors. eta vs tors. theta energy: -17.861
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: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -184.574596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.574596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.574596 (E_RNA)
where:
Base-Base interactions energy: -67.336
where: short stacking energy: -61.498
Base-Backbone interact. energy: 0.611
local terms energy: -117.849679
where:
bonds (distance) C4'-P energy: -35.328
bonds (distance) P-C4' energy: -41.025
flat angles C4'-P-C4' energy: -30.172
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: 8.941
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: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -780.865910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.865910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.865910 (E_RNA)
where:
Base-Base interactions energy: -547.055
where: short stacking energy: -239.266
Base-Backbone interact. energy: -0.980
local terms energy: -232.831136
where:
bonds (distance) C4'-P energy: -46.168
bonds (distance) P-C4' energy: -35.656
flat angles C4'-P-C4' energy: -47.758
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -71.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -760.526229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.526229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.526229 (E_RNA)
where:
Base-Base interactions energy: -529.222
where: short stacking energy: -210.582
Base-Backbone interact. energy: -0.756
local terms energy: -230.548698
where:
bonds (distance) C4'-P energy: -38.384
bonds (distance) P-C4' energy: -46.446
flat angles C4'-P-C4' energy: -49.314
flat angles P-C4'-P energy: -35.730
tors. eta vs tors. theta energy: -60.675
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: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -709.277614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.277614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.277614 (E_RNA)
where:
Base-Base interactions energy: -489.232
where: short stacking energy: -216.570
Base-Backbone interact. energy: -1.028
local terms energy: -219.017622
where:
bonds (distance) C4'-P energy: -41.402
bonds (distance) P-C4' energy: -46.927
flat angles C4'-P-C4' energy: -45.813
flat angles P-C4'-P energy: -28.572
tors. eta vs tors. theta energy: -56.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -714.752436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.752436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.752436 (E_RNA)
where:
Base-Base interactions energy: -482.260
where: short stacking energy: -194.944
Base-Backbone interact. energy: -0.871
local terms energy: -231.621386
where:
bonds (distance) C4'-P energy: -38.658
bonds (distance) P-C4' energy: -44.493
flat angles C4'-P-C4' energy: -51.844
flat angles P-C4'-P energy: -35.311
tors. eta vs tors. theta energy: -61.316
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: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -613.350626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.350626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.350626 (E_RNA)
where:
Base-Base interactions energy: -425.391
where: short stacking energy: -188.092
Base-Backbone interact. energy: -0.728
local terms energy: -187.231406
where:
bonds (distance) C4'-P energy: -30.719
bonds (distance) P-C4' energy: -43.730
flat angles C4'-P-C4' energy: -34.911
flat angles P-C4'-P energy: -23.651
tors. eta vs tors. theta energy: -54.220
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: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -569.406047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.406047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.406047 (E_RNA)
where:
Base-Base interactions energy: -360.906
where: short stacking energy: -177.604
Base-Backbone interact. energy: -1.366
local terms energy: -207.133720
where:
bonds (distance) C4'-P energy: -38.548
bonds (distance) P-C4' energy: -42.084
flat angles C4'-P-C4' energy: -48.014
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: -51.393
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: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -493.364063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.364063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.364063 (E_RNA)
where:
Base-Base interactions energy: -324.479
where: short stacking energy: -134.646
Base-Backbone interact. energy: -1.194
local terms energy: -167.691130
where:
bonds (distance) C4'-P energy: -32.126
bonds (distance) P-C4' energy: -39.535
flat angles C4'-P-C4' energy: -38.561
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -32.985
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: 8, replica: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -393.560140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.560140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.560140 (E_RNA)
where:
Base-Base interactions energy: -235.509
where: short stacking energy: -129.916
Base-Backbone interact. energy: -1.012
local terms energy: -157.039746
where:
bonds (distance) C4'-P energy: -34.037
bonds (distance) P-C4' energy: -36.164
flat angles C4'-P-C4' energy: -37.706
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -23.407
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: 9, replica: 9
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -363.589090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.589090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.589090 (E_RNA)
where:
Base-Base interactions energy: -213.006
where: short stacking energy: -115.435
Base-Backbone interact. energy: -1.365
local terms energy: -149.218199
where:
bonds (distance) C4'-P energy: -30.265
bonds (distance) P-C4' energy: -43.437
flat angles C4'-P-C4' energy: -39.857
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -19.781
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: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -241.057451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.057451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.057451 (E_RNA)
where:
Base-Base interactions energy: -111.993
where: short stacking energy: -74.193
Base-Backbone interact. energy: 0.846
local terms energy: -129.910047
where:
bonds (distance) C4'-P energy: -39.121
bonds (distance) P-C4' energy: -33.759
flat angles C4'-P-C4' energy: -33.949
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: 0.472
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: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -787.336110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.336110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.336110 (E_RNA)
where:
Base-Base interactions energy: -542.723
where: short stacking energy: -241.525
Base-Backbone interact. energy: -1.993
local terms energy: -242.620546
where:
bonds (distance) C4'-P energy: -37.475
bonds (distance) P-C4' energy: -43.594
flat angles C4'-P-C4' energy: -49.750
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -73.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -743.390254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.390254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.390254 (E_RNA)
where:
Base-Base interactions energy: -516.480
where: short stacking energy: -219.245
Base-Backbone interact. energy: -0.119
local terms energy: -226.790677
where:
bonds (distance) C4'-P energy: -41.055
bonds (distance) P-C4' energy: -44.077
flat angles C4'-P-C4' energy: -47.664
flat angles P-C4'-P energy: -35.242
tors. eta vs tors. theta energy: -58.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -717.599259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.599259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.599259 (E_RNA)
where:
Base-Base interactions energy: -502.898
where: short stacking energy: -201.236
Base-Backbone interact. energy: -1.103
local terms energy: -213.598198
where:
bonds (distance) C4'-P energy: -34.679
bonds (distance) P-C4' energy: -39.972
flat angles C4'-P-C4' energy: -48.087
flat angles P-C4'-P energy: -34.677
tors. eta vs tors. theta energy: -56.183
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: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -710.000230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.000230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.000230 (E_RNA)
where:
Base-Base interactions energy: -481.227
where: short stacking energy: -212.916
Base-Backbone interact. energy: -1.375
local terms energy: -227.398034
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -49.376
flat angles P-C4'-P energy: -30.258
tors. eta vs tors. theta energy: -63.760
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: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -618.442390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.442390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.442390 (E_RNA)
where:
Base-Base interactions energy: -418.604
where: short stacking energy: -180.389
Base-Backbone interact. energy: -0.650
local terms energy: -199.188407
where:
bonds (distance) C4'-P energy: -43.655
bonds (distance) P-C4' energy: -34.361
flat angles C4'-P-C4' energy: -44.752
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -46.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -554.709377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.709377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.709377 (E_RNA)
where:
Base-Base interactions energy: -364.117
where: short stacking energy: -176.777
Base-Backbone interact. energy: -0.226
local terms energy: -190.366068
where:
bonds (distance) C4'-P energy: -45.102
bonds (distance) P-C4' energy: -42.646
flat angles C4'-P-C4' energy: -36.707
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -42.742
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: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -509.256550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.256550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.256550 (E_RNA)
where:
Base-Base interactions energy: -338.747
where: short stacking energy: -143.592
Base-Backbone interact. energy: -1.115
local terms energy: -169.393966
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -36.002
flat angles C4'-P-C4' energy: -41.145
flat angles P-C4'-P energy: -28.636
tors. eta vs tors. theta energy: -22.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -438.997707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.997707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.997707 (E_RNA)
where:
Base-Base interactions energy: -292.797
where: short stacking energy: -127.306
Base-Backbone interact. energy: -0.349
local terms energy: -145.851073
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -38.006
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -23.987
tors. eta vs tors. theta energy: -18.579
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: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -349.948002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.948002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.948002 (E_RNA)
where:
Base-Base interactions energy: -203.468
where: short stacking energy: -109.860
Base-Backbone interact. energy: -0.720
local terms energy: -145.760122
where:
bonds (distance) C4'-P energy: -33.625
bonds (distance) P-C4' energy: -32.817
flat angles C4'-P-C4' energy: -34.947
flat angles P-C4'-P energy: -26.440
tors. eta vs tors. theta energy: -17.932
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: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -309.887295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.887295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.887295 (E_RNA)
where:
Base-Base interactions energy: -170.617
where: short stacking energy: -79.358
Base-Backbone interact. energy: -0.468
local terms energy: -138.801481
where:
bonds (distance) C4'-P energy: -32.649
bonds (distance) P-C4' energy: -35.799
flat angles C4'-P-C4' energy: -34.507
flat angles P-C4'-P energy: -26.848
tors. eta vs tors. theta energy: -8.998
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: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -776.698878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.698878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.698878 (E_RNA)
where:
Base-Base interactions energy: -525.080
where: short stacking energy: -231.060
Base-Backbone interact. energy: -1.443
local terms energy: -250.175116
where:
bonds (distance) C4'-P energy: -46.908
bonds (distance) P-C4' energy: -42.748
flat angles C4'-P-C4' energy: -52.511
flat angles P-C4'-P energy: -33.996
tors. eta vs tors. theta energy: -74.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -735.907447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.907447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.907447 (E_RNA)
where:
Base-Base interactions energy: -506.202
where: short stacking energy: -212.052
Base-Backbone interact. energy: -1.398
local terms energy: -228.307397
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -44.167
flat angles C4'-P-C4' energy: -51.795
flat angles P-C4'-P energy: -32.165
tors. eta vs tors. theta energy: -62.265
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: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -731.816565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.816565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.816565 (E_RNA)
where:
Base-Base interactions energy: -502.446
where: short stacking energy: -217.952
Base-Backbone interact. energy: -1.356
local terms energy: -228.015043
where:
bonds (distance) C4'-P energy: -44.402
bonds (distance) P-C4' energy: -45.075
flat angles C4'-P-C4' energy: -47.288
flat angles P-C4'-P energy: -30.561
tors. eta vs tors. theta energy: -60.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -700.769662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.769662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.769662 (E_RNA)
where:
Base-Base interactions energy: -464.083
where: short stacking energy: -214.535
Base-Backbone interact. energy: -0.338
local terms energy: -236.348626
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -46.539
flat angles C4'-P-C4' energy: -52.266
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -58.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -612.637887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.637887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.637887 (E_RNA)
where:
Base-Base interactions energy: -425.991
where: short stacking energy: -194.375
Base-Backbone interact. energy: -1.152
local terms energy: -185.494681
where:
bonds (distance) C4'-P energy: -33.911
bonds (distance) P-C4' energy: -38.509
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -53.765
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: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -556.366583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.366583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.366583 (E_RNA)
where:
Base-Base interactions energy: -369.253
where: short stacking energy: -184.702
Base-Backbone interact. energy: -0.099
local terms energy: -187.014641
where:
bonds (distance) C4'-P energy: -44.084
bonds (distance) P-C4' energy: -30.669
flat angles C4'-P-C4' energy: -44.646
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -52.804
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: 431
Temperature: 1.200000
Total energy: -531.320338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.320338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.320338 (E_RNA)
where:
Base-Base interactions energy: -348.706
where: short stacking energy: -161.426
Base-Backbone interact. energy: -1.612
local terms energy: -181.003119
where:
bonds (distance) C4'-P energy: -31.424
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -47.705
flat angles P-C4'-P energy: -26.389
tors. eta vs tors. theta energy: -33.887
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: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -402.298409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.298409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.298409 (E_RNA)
where:
Base-Base interactions energy: -260.184
where: short stacking energy: -128.766
Base-Backbone interact. energy: -0.045
local terms energy: -142.069213
where:
bonds (distance) C4'-P energy: -37.890
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -361.387881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.387881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.387881 (E_RNA)
where:
Base-Base interactions energy: -223.673
where: short stacking energy: -118.059
Base-Backbone interact. energy: 1.719
local terms energy: -139.433306
where:
bonds (distance) C4'-P energy: -34.603
bonds (distance) P-C4' energy: -36.657
flat angles C4'-P-C4' energy: -33.852
flat angles P-C4'-P energy: -17.755
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -314.741246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.741246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.741246 (E_RNA)
where:
Base-Base interactions energy: -185.666
where: short stacking energy: -91.644
Base-Backbone interact. energy: -0.040
local terms energy: -129.034794
where:
bonds (distance) C4'-P energy: -24.251
bonds (distance) P-C4' energy: -40.534
flat angles C4'-P-C4' energy: -32.070
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -768.655940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.655940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.655940 (E_RNA)
where:
Base-Base interactions energy: -534.516
where: short stacking energy: -240.822
Base-Backbone interact. energy: -1.832
local terms energy: -232.307758
where:
bonds (distance) C4'-P energy: -37.885
bonds (distance) P-C4' energy: -40.435
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -29.530
tors. eta vs tors. theta energy: -76.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -749.349469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.349469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.349469 (E_RNA)
where:
Base-Base interactions energy: -527.330
where: short stacking energy: -205.305
Base-Backbone interact. energy: -0.655
local terms energy: -221.364362
where:
bonds (distance) C4'-P energy: -35.823
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -31.268
tors. eta vs tors. theta energy: -59.982
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: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -719.245416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.245416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.245416 (E_RNA)
where:
Base-Base interactions energy: -479.265
where: short stacking energy: -209.537
Base-Backbone interact. energy: -2.418
local terms energy: -237.562439
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -42.399
flat angles C4'-P-C4' energy: -48.466
flat angles P-C4'-P energy: -33.969
tors. eta vs tors. theta energy: -64.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -721.270691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.270691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.270691 (E_RNA)
where:
Base-Base interactions energy: -492.322
where: short stacking energy: -213.240
Base-Backbone interact. energy: -1.220
local terms energy: -227.728968
where:
bonds (distance) C4'-P energy: -43.507
bonds (distance) P-C4' energy: -42.723
flat angles C4'-P-C4' energy: -48.737
flat angles P-C4'-P energy: -32.607
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: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -639.849382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.849382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.849382 (E_RNA)
where:
Base-Base interactions energy: -433.899
where: short stacking energy: -195.341
Base-Backbone interact. energy: -0.686
local terms energy: -205.264640
where:
bonds (distance) C4'-P energy: -39.610
bonds (distance) P-C4' energy: -38.472
flat angles C4'-P-C4' energy: -49.634
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -47.934
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: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -555.302657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.302657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.302657 (E_RNA)
where:
Base-Base interactions energy: -352.876
where: short stacking energy: -156.580
Base-Backbone interact. energy: 0.053
local terms energy: -202.479231
where:
bonds (distance) C4'-P energy: -38.519
bonds (distance) P-C4' energy: -43.183
flat angles C4'-P-C4' energy: -38.318
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -51.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -507.704200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.704200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.704200 (E_RNA)
where:
Base-Base interactions energy: -333.255
where: short stacking energy: -146.005
Base-Backbone interact. energy: 1.371
local terms energy: -175.820058
where:
bonds (distance) C4'-P energy: -36.261
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -48.435
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -39.026
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: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -415.843073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.843073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.843073 (E_RNA)
where:
Base-Base interactions energy: -253.059
where: short stacking energy: -127.599
Base-Backbone interact. energy: -1.042
local terms energy: -161.741417
where:
bonds (distance) C4'-P energy: -32.214
bonds (distance) P-C4' energy: -42.253
flat angles C4'-P-C4' energy: -36.499
flat angles P-C4'-P energy: -27.857
tors. eta vs tors. theta energy: -22.918
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: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -357.819669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.819669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.819669 (E_RNA)
where:
Base-Base interactions energy: -211.549
where: short stacking energy: -114.595
Base-Backbone interact. energy: -0.447
local terms energy: -145.823892
where:
bonds (distance) C4'-P energy: -29.217
bonds (distance) P-C4' energy: -34.731
flat angles C4'-P-C4' energy: -34.955
flat angles P-C4'-P energy: -16.172
tors. eta vs tors. theta energy: -30.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -304.732232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.732232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.732232 (E_RNA)
where:
Base-Base interactions energy: -165.712
where: short stacking energy: -94.668
Base-Backbone interact. energy: -0.521
local terms energy: -138.499791
where:
bonds (distance) C4'-P energy: -26.980
bonds (distance) P-C4' energy: -37.875
flat angles C4'-P-C4' energy: -34.857
flat angles P-C4'-P energy: -27.178
tors. eta vs tors. theta energy: -11.610
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: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -767.765345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.765345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.765345 (E_RNA)
where:
Base-Base interactions energy: -527.975
where: short stacking energy: -236.483
Base-Backbone interact. energy: -1.606
local terms energy: -238.183880
where:
bonds (distance) C4'-P energy: -47.417
bonds (distance) P-C4' energy: -45.131
flat angles C4'-P-C4' energy: -44.837
flat angles P-C4'-P energy: -26.742
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: 2, replica: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -757.947020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.947020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.947020 (E_RNA)
where:
Base-Base interactions energy: -533.935
where: short stacking energy: -219.445
Base-Backbone interact. energy: -0.054
local terms energy: -223.958097
where:
bonds (distance) C4'-P energy: -46.458
bonds (distance) P-C4' energy: -32.137
flat angles C4'-P-C4' energy: -50.053
flat angles P-C4'-P energy: -34.430
tors. eta vs tors. theta energy: -60.880
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: 5
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -711.930459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.930459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.930459 (E_RNA)
where:
Base-Base interactions energy: -479.909
where: short stacking energy: -204.000
Base-Backbone interact. energy: -4.092
local terms energy: -227.929129
where:
bonds (distance) C4'-P energy: -44.431
bonds (distance) P-C4' energy: -44.665
flat angles C4'-P-C4' energy: -45.933
flat angles P-C4'-P energy: -30.245
tors. eta vs tors. theta energy: -62.656
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: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -701.229680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.229680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.229680 (E_RNA)
where:
Base-Base interactions energy: -488.045
where: short stacking energy: -208.135
Base-Backbone interact. energy: -0.302
local terms energy: -212.882692
where:
bonds (distance) C4'-P energy: -47.383
bonds (distance) P-C4' energy: -41.587
flat angles C4'-P-C4' energy: -45.560
flat angles P-C4'-P energy: -20.867
tors. eta vs tors. theta energy: -57.486
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: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -617.847753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.847753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.847753 (E_RNA)
where:
Base-Base interactions energy: -415.521
where: short stacking energy: -197.923
Base-Backbone interact. energy: -1.267
local terms energy: -201.059685
where:
bonds (distance) C4'-P energy: -34.214
bonds (distance) P-C4' energy: -38.523
flat angles C4'-P-C4' energy: -47.264
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -58.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -556.157000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.157000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.157000 (E_RNA)
where:
Base-Base interactions energy: -365.995
where: short stacking energy: -170.579
Base-Backbone interact. energy: -1.198
local terms energy: -188.963535
where:
bonds (distance) C4'-P energy: -28.426
bonds (distance) P-C4' energy: -42.618
flat angles C4'-P-C4' energy: -42.327
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: -48.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -528.982259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.982259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.982259 (E_RNA)
where:
Base-Base interactions energy: -330.021
where: short stacking energy: -153.323
Base-Backbone interact. energy: -1.069
local terms energy: -197.891891
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -42.485
flat angles P-C4'-P energy: -30.872
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: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -385.810907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.810907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.810907 (E_RNA)
where:
Base-Base interactions energy: -216.122
where: short stacking energy: -119.929
Base-Backbone interact. energy: 2.518
local terms energy: -172.207380
where:
bonds (distance) C4'-P energy: -44.639
bonds (distance) P-C4' energy: -43.390
flat angles C4'-P-C4' energy: -39.129
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -22.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -364.490337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.490337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.490337 (E_RNA)
where:
Base-Base interactions energy: -234.029
where: short stacking energy: -115.771
Base-Backbone interact. energy: 7.615
local terms energy: -138.075618
where:
bonds (distance) C4'-P energy: -35.099
bonds (distance) P-C4' energy: -43.237
flat angles C4'-P-C4' energy: -30.299
flat angles P-C4'-P energy: -23.829
tors. eta vs tors. theta energy: -5.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -311.173700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.173700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.173700 (E_RNA)
where:
Base-Base interactions energy: -181.363
where: short stacking energy: -92.869
Base-Backbone interact. energy: 0.101
local terms energy: -129.911329
where:
bonds (distance) C4'-P energy: -37.405
bonds (distance) P-C4' energy: -33.674
flat angles C4'-P-C4' energy: -30.414
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -10.072
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: 1, replica: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -757.019031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.019031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.019031 (E_RNA)
where:
Base-Base interactions energy: -539.502
where: short stacking energy: -217.768
Base-Backbone interact. energy: -1.241
local terms energy: -216.275812
where:
bonds (distance) C4'-P energy: -38.783
bonds (distance) P-C4' energy: -47.701
flat angles C4'-P-C4' energy: -41.585
flat angles P-C4'-P energy: -35.018
tors. eta vs tors. theta energy: -53.189
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: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -757.118217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.118217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.118217 (E_RNA)
where:
Base-Base interactions energy: -521.340
where: short stacking energy: -221.957
Base-Backbone interact. energy: -0.159
local terms energy: -235.618958
where:
bonds (distance) C4'-P energy: -42.982
bonds (distance) P-C4' energy: -45.180
flat angles C4'-P-C4' energy: -43.945
flat angles P-C4'-P energy: -38.483
tors. eta vs tors. theta energy: -65.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -711.770712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.770712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.770712 (E_RNA)
where:
Base-Base interactions energy: -491.803
where: short stacking energy: -209.698
Base-Backbone interact. energy: -0.973
local terms energy: -218.994660
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -40.848
flat angles C4'-P-C4' energy: -50.688
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -63.316
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: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -702.251698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.251698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.251698 (E_RNA)
where:
Base-Base interactions energy: -474.179
where: short stacking energy: -199.754
Base-Backbone interact. energy: -0.618
local terms energy: -227.454536
where:
bonds (distance) C4'-P energy: -45.580
bonds (distance) P-C4' energy: -48.547
flat angles C4'-P-C4' energy: -44.075
flat angles P-C4'-P energy: -27.091
tors. eta vs tors. theta energy: -62.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -614.329482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.329482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.329482 (E_RNA)
where:
Base-Base interactions energy: -407.268
where: short stacking energy: -175.152
Base-Backbone interact. energy: -1.658
local terms energy: -205.403539
where:
bonds (distance) C4'-P energy: -37.502
bonds (distance) P-C4' energy: -40.682
flat angles C4'-P-C4' energy: -49.688
flat angles P-C4'-P energy: -31.613
tors. eta vs tors. theta energy: -45.919
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: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -548.162831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.162831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.162831 (E_RNA)
where:
Base-Base interactions energy: -378.097
where: short stacking energy: -163.678
Base-Backbone interact. energy: 2.974
local terms energy: -173.039557
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -24.919
flat angles C4'-P-C4' energy: -31.733
flat angles P-C4'-P energy: -35.638
tors. eta vs tors. theta energy: -39.875
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: 3
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -532.131204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.131204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.131204 (E_RNA)
where:
Base-Base interactions energy: -333.694
where: short stacking energy: -166.998
Base-Backbone interact. energy: -0.089
local terms energy: -198.348260
where:
bonds (distance) C4'-P energy: -39.771
bonds (distance) P-C4' energy: -40.065
flat angles C4'-P-C4' energy: -43.638
flat angles P-C4'-P energy: -32.928
tors. eta vs tors. theta energy: -41.946
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: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -360.821881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.821881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.821881 (E_RNA)
where:
Base-Base interactions energy: -202.486
where: short stacking energy: -118.540
Base-Backbone interact. energy: -0.401
local terms energy: -157.935142
where:
bonds (distance) C4'-P energy: -39.172
bonds (distance) P-C4' energy: -50.909
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -22.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -383.977890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.977890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.977890 (E_RNA)
where:
Base-Base interactions energy: -235.134
where: short stacking energy: -100.684
Base-Backbone interact. energy: -2.604
local terms energy: -146.240263
where:
bonds (distance) C4'-P energy: -31.046
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -35.630
flat angles P-C4'-P energy: -28.526
tors. eta vs tors. theta energy: -19.045
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: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -304.405281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.405281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.405281 (E_RNA)
where:
Base-Base interactions energy: -183.335
where: short stacking energy: -112.437
Base-Backbone interact. energy: 0.886
local terms energy: -121.956363
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -35.266
flat angles C4'-P-C4' energy: -33.761
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -16.371
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: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -766.350891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.350891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.350891 (E_RNA)
where:
Base-Base interactions energy: -544.355
where: short stacking energy: -210.332
Base-Backbone interact. energy: -2.122
local terms energy: -219.873718
where:
bonds (distance) C4'-P energy: -40.876
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -49.145
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: -52.928
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: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -740.202225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.202225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.202225 (E_RNA)
where:
Base-Base interactions energy: -511.398
where: short stacking energy: -227.186
Base-Backbone interact. energy: -1.814
local terms energy: -226.990452
where:
bonds (distance) C4'-P energy: -40.658
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -40.271
flat angles P-C4'-P energy: -36.671
tors. eta vs tors. theta energy: -69.055
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: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -730.040553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.040553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.040553 (E_RNA)
where:
Base-Base interactions energy: -511.943
where: short stacking energy: -216.267
Base-Backbone interact. energy: -0.094
local terms energy: -218.003550
where:
bonds (distance) C4'-P energy: -42.319
bonds (distance) P-C4' energy: -41.588
flat angles C4'-P-C4' energy: -41.783
flat angles P-C4'-P energy: -28.901
tors. eta vs tors. theta energy: -63.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -676.172401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.172401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.172401 (E_RNA)
where:
Base-Base interactions energy: -478.474
where: short stacking energy: -214.810
Base-Backbone interact. energy: -1.265
local terms energy: -196.433575
where:
bonds (distance) C4'-P energy: -31.642
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -46.761
flat angles P-C4'-P energy: -29.298
tors. eta vs tors. theta energy: -57.637
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: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -627.710739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.710739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.710739 (E_RNA)
where:
Base-Base interactions energy: -430.149
where: short stacking energy: -194.940
Base-Backbone interact. energy: -0.628
local terms energy: -196.934311
where:
bonds (distance) C4'-P energy: -36.555
bonds (distance) P-C4' energy: -44.020
flat angles C4'-P-C4' energy: -40.933
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: -48.984
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: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -552.011962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.011962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.011962 (E_RNA)
where:
Base-Base interactions energy: -381.225
where: short stacking energy: -161.300
Base-Backbone interact. energy: 1.008
local terms energy: -171.794588
where:
bonds (distance) C4'-P energy: -33.604
bonds (distance) P-C4' energy: -39.701
flat angles C4'-P-C4' energy: -37.405
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -38.842
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: 3
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -515.039094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.039094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.039094 (E_RNA)
where:
Base-Base interactions energy: -319.792
where: short stacking energy: -126.395
Base-Backbone interact. energy: -0.472
local terms energy: -194.775672
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -43.423
flat angles C4'-P-C4' energy: -44.365
flat angles P-C4'-P energy: -28.619
tors. eta vs tors. theta energy: -35.933
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: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -371.014017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.014017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.014017 (E_RNA)
where:
Base-Base interactions energy: -227.313
where: short stacking energy: -112.321
Base-Backbone interact. energy: -0.798
local terms energy: -142.902859
where:
bonds (distance) C4'-P energy: -28.398
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -37.332
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -22.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -414.155131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.155131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.155131 (E_RNA)
where:
Base-Base interactions energy: -265.121
where: short stacking energy: -116.417
Base-Backbone interact. energy: -1.838
local terms energy: -147.195627
where:
bonds (distance) C4'-P energy: -35.973
bonds (distance) P-C4' energy: -29.973
flat angles C4'-P-C4' energy: -37.680
flat angles P-C4'-P energy: -18.895
tors. eta vs tors. theta energy: -24.675
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: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -311.871123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.871123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.871123 (E_RNA)
where:
Base-Base interactions energy: -176.725
where: short stacking energy: -104.258
Base-Backbone interact. energy: 0.332
local terms energy: -135.477710
where:
bonds (distance) C4'-P energy: -31.757
bonds (distance) P-C4' energy: -38.999
flat angles C4'-P-C4' energy: -32.395
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -11.136
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: 1, replica: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -764.736162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.736162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.736162 (E_RNA)
where:
Base-Base interactions energy: -522.702
where: short stacking energy: -219.333
Base-Backbone interact. energy: -2.149
local terms energy: -239.886083
where:
bonds (distance) C4'-P energy: -37.331
bonds (distance) P-C4' energy: -43.970
flat angles C4'-P-C4' energy: -53.776
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -65.339
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: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -743.750530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.750530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.750530 (E_RNA)
where:
Base-Base interactions energy: -506.375
where: short stacking energy: -224.213
Base-Backbone interact. energy: -0.921
local terms energy: -236.454455
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -44.628
flat angles C4'-P-C4' energy: -52.058
flat angles P-C4'-P energy: -33.201
tors. eta vs tors. theta energy: -68.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -729.201043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.201043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.201043 (E_RNA)
where:
Base-Base interactions energy: -507.217
where: short stacking energy: -213.185
Base-Backbone interact. energy: -0.094
local terms energy: -221.890212
where:
bonds (distance) C4'-P energy: -42.513
bonds (distance) P-C4' energy: -41.420
flat angles C4'-P-C4' energy: -43.862
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -64.169
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: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -700.700692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.700692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.700692 (E_RNA)
where:
Base-Base interactions energy: -472.906
where: short stacking energy: -209.842
Base-Backbone interact. energy: 0.429
local terms energy: -228.223725
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -39.009
flat angles C4'-P-C4' energy: -45.464
flat angles P-C4'-P energy: -30.143
tors. eta vs tors. theta energy: -67.362
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: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -607.046288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.046288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.046288 (E_RNA)
where:
Base-Base interactions energy: -409.362
where: short stacking energy: -182.468
Base-Backbone interact. energy: -0.524
local terms energy: -197.161198
where:
bonds (distance) C4'-P energy: -40.765
bonds (distance) P-C4' energy: -37.500
flat angles C4'-P-C4' energy: -41.669
flat angles P-C4'-P energy: -28.279
tors. eta vs tors. theta energy: -48.948
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: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -567.283188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.283188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.283188 (E_RNA)
where:
Base-Base interactions energy: -382.133
where: short stacking energy: -166.790
Base-Backbone interact. energy: 1.957
local terms energy: -187.106651
where:
bonds (distance) C4'-P energy: -30.201
bonds (distance) P-C4' energy: -40.509
flat angles C4'-P-C4' energy: -45.416
flat angles P-C4'-P energy: -31.743
tors. eta vs tors. theta energy: -39.238
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: 7, replica: 3
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -524.932243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.932243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.932243 (E_RNA)
where:
Base-Base interactions energy: -342.400
where: short stacking energy: -153.842
Base-Backbone interact. energy: -0.672
local terms energy: -181.860183
where:
bonds (distance) C4'-P energy: -39.323
bonds (distance) P-C4' energy: -36.491
flat angles C4'-P-C4' energy: -40.265
flat angles P-C4'-P energy: -29.129
tors. eta vs tors. theta energy: -36.651
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: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -367.716672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.716672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.716672 (E_RNA)
where:
Base-Base interactions energy: -212.035
where: short stacking energy: -112.618
Base-Backbone interact. energy: -2.296
local terms energy: -153.385523
where:
bonds (distance) C4'-P energy: -34.731
bonds (distance) P-C4' energy: -45.881
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -19.496
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: 8
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -419.179273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.179273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.179273 (E_RNA)
where:
Base-Base interactions energy: -261.110
where: short stacking energy: -132.772
Base-Backbone interact. energy: -0.312
local terms energy: -157.757903
where:
bonds (distance) C4'-P energy: -43.664
bonds (distance) P-C4' energy: -36.769
flat angles C4'-P-C4' energy: -35.532
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -27.418
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: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -330.162536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.162536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.162536 (E_RNA)
where:
Base-Base interactions energy: -166.627
where: short stacking energy: -92.568
Base-Backbone interact. energy: -1.046
local terms energy: -162.488952
where:
bonds (distance) C4'-P energy: -36.724
bonds (distance) P-C4' energy: -47.042
flat angles C4'-P-C4' energy: -30.254
flat angles P-C4'-P energy: -26.993
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -762.909407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.909407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.909407 (E_RNA)
where:
Base-Base interactions energy: -524.369
where: short stacking energy: -219.555
Base-Backbone interact. energy: -2.082
local terms energy: -236.458905
where:
bonds (distance) C4'-P energy: -48.409
bonds (distance) P-C4' energy: -38.828
flat angles C4'-P-C4' energy: -52.320
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -61.140
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: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -755.885227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.885227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.885227 (E_RNA)
where:
Base-Base interactions energy: -515.636
where: short stacking energy: -208.444
Base-Backbone interact. energy: -1.858
local terms energy: -238.390969
where:
bonds (distance) C4'-P energy: -46.015
bonds (distance) P-C4' energy: -43.245
flat angles C4'-P-C4' energy: -47.799
flat angles P-C4'-P energy: -37.780
tors. eta vs tors. theta energy: -63.551
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: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -722.404562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.404562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.404562 (E_RNA)
where:
Base-Base interactions energy: -490.936
where: short stacking energy: -197.845
Base-Backbone interact. energy: -0.879
local terms energy: -230.589909
where:
bonds (distance) C4'-P energy: -47.610
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -42.328
flat angles P-C4'-P energy: -35.333
tors. eta vs tors. theta energy: -65.320
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: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -704.694723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.694723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.694723 (E_RNA)
where:
Base-Base interactions energy: -467.898
where: short stacking energy: -209.656
Base-Backbone interact. energy: 0.090
local terms energy: -236.886925
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -42.059
flat angles C4'-P-C4' energy: -50.190
flat angles P-C4'-P energy: -36.297
tors. eta vs tors. theta energy: -63.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -598.876146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.876146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.876146 (E_RNA)
where:
Base-Base interactions energy: -401.804
where: short stacking energy: -176.015
Base-Backbone interact. energy: -1.505
local terms energy: -195.566284
where:
bonds (distance) C4'-P energy: -35.371
bonds (distance) P-C4' energy: -41.393
flat angles C4'-P-C4' energy: -41.317
flat angles P-C4'-P energy: -31.468
tors. eta vs tors. theta energy: -46.017
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: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -577.548377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.548377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.548377 (E_RNA)
where:
Base-Base interactions energy: -387.492
where: short stacking energy: -161.479
Base-Backbone interact. energy: -1.484
local terms energy: -188.572122
where:
bonds (distance) C4'-P energy: -39.331
bonds (distance) P-C4' energy: -40.083
flat angles C4'-P-C4' energy: -44.311
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: -36.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -526.280150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.280150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.280150 (E_RNA)
where:
Base-Base interactions energy: -352.595
where: short stacking energy: -153.082
Base-Backbone interact. energy: -0.706
local terms energy: -172.978570
where:
bonds (distance) C4'-P energy: -32.400
bonds (distance) P-C4' energy: -37.159
flat angles C4'-P-C4' energy: -41.960
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -39.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -450.945624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.945624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.945624 (E_RNA)
where:
Base-Base interactions energy: -282.801
where: short stacking energy: -140.514
Base-Backbone interact. energy: -1.641
local terms energy: -166.503590
where:
bonds (distance) C4'-P energy: -34.704
bonds (distance) P-C4' energy: -36.035
flat angles C4'-P-C4' energy: -43.030
flat angles P-C4'-P energy: -22.711
tors. eta vs tors. theta energy: -30.023
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: 437
Temperature: 1.300000
Total energy: -364.540051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.540051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.540051 (E_RNA)
where:
Base-Base interactions energy: -198.357
where: short stacking energy: -108.575
Base-Backbone interact. energy: -2.771
local terms energy: -163.411828
where:
bonds (distance) C4'-P energy: -39.185
bonds (distance) P-C4' energy: -45.774
flat angles C4'-P-C4' energy: -39.924
flat angles P-C4'-P energy: -21.000
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -314.086147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.086147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.086147 (E_RNA)
where:
Base-Base interactions energy: -175.670
where: short stacking energy: -91.135
Base-Backbone interact. energy: -0.359
local terms energy: -138.057340
where:
bonds (distance) C4'-P energy: -37.362
bonds (distance) P-C4' energy: -32.524
flat angles C4'-P-C4' energy: -35.744
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -12.805
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: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -751.183315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.183315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.183315 (E_RNA)
where:
Base-Base interactions energy: -527.736
where: short stacking energy: -219.629
Base-Backbone interact. energy: -0.730
local terms energy: -222.717096
where:
bonds (distance) C4'-P energy: -40.477
bonds (distance) P-C4' energy: -40.838
flat angles C4'-P-C4' energy: -45.031
flat angles P-C4'-P energy: -33.634
tors. eta vs tors. theta energy: -62.737
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: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -737.293553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.293553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.293553 (E_RNA)
where:
Base-Base interactions energy: -508.449
where: short stacking energy: -225.842
Base-Backbone interact. energy: -1.096
local terms energy: -227.747892
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -39.905
flat angles C4'-P-C4' energy: -45.343
flat angles P-C4'-P energy: -27.592
tors. eta vs tors. theta energy: -70.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -715.394909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.394909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.394909 (E_RNA)
where:
Base-Base interactions energy: -499.083
where: short stacking energy: -205.307
Base-Backbone interact. energy: -0.183
local terms energy: -216.129145
where:
bonds (distance) C4'-P energy: -43.766
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -46.906
flat angles P-C4'-P energy: -28.223
tors. eta vs tors. theta energy: -54.376
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: 438
Temperature: 1.050000
Total energy: -685.422377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.422377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.422377 (E_RNA)
where:
Base-Base interactions energy: -467.766
where: short stacking energy: -204.763
Base-Backbone interact. energy: 0.198
local terms energy: -217.854803
where:
bonds (distance) C4'-P energy: -37.435
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -44.592
flat angles P-C4'-P energy: -31.597
tors. eta vs tors. theta energy: -58.795
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: 438
Temperature: 1.100000
Total energy: -582.208819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.208819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.208819 (E_RNA)
where:
Base-Base interactions energy: -404.772
where: short stacking energy: -181.750
Base-Backbone interact. energy: -0.510
local terms energy: -176.926912
where:
bonds (distance) C4'-P energy: -23.286
bonds (distance) P-C4' energy: -32.116
flat angles C4'-P-C4' energy: -40.877
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -55.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -561.596748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.596748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.596748 (E_RNA)
where:
Base-Base interactions energy: -361.622
where: short stacking energy: -163.100
Base-Backbone interact. energy: -1.541
local terms energy: -198.433771
where:
bonds (distance) C4'-P energy: -36.420
bonds (distance) P-C4' energy: -46.618
flat angles C4'-P-C4' energy: -40.799
flat angles P-C4'-P energy: -33.535
tors. eta vs tors. theta energy: -41.061
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: 7, replica: 3
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -521.063292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.063292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.063292 (E_RNA)
where:
Base-Base interactions energy: -344.533
where: short stacking energy: -154.635
Base-Backbone interact. energy: 1.460
local terms energy: -177.990312
where:
bonds (distance) C4'-P energy: -31.187
bonds (distance) P-C4' energy: -33.948
flat angles C4'-P-C4' energy: -46.091
flat angles P-C4'-P energy: -28.713
tors. eta vs tors. theta energy: -38.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -428.237620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.237620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.237620 (E_RNA)
where:
Base-Base interactions energy: -260.557
where: short stacking energy: -125.691
Base-Backbone interact. energy: -1.808
local terms energy: -165.872538
where:
bonds (distance) C4'-P energy: -37.695
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -31.829
flat angles P-C4'-P energy: -25.646
tors. eta vs tors. theta energy: -31.339
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: 10
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -336.884549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.884549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.884549 (E_RNA)
where:
Base-Base interactions energy: -188.121
where: short stacking energy: -109.171
Base-Backbone interact. energy: -0.324
local terms energy: -148.438865
where:
bonds (distance) C4'-P energy: -35.973
bonds (distance) P-C4' energy: -30.729
flat angles C4'-P-C4' energy: -40.234
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -22.157
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: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -339.014261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.014261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.014261 (E_RNA)
where:
Base-Base interactions energy: -183.736
where: short stacking energy: -98.894
Base-Backbone interact. energy: -1.392
local terms energy: -153.885961
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -42.370
flat angles C4'-P-C4' energy: -41.755
flat angles P-C4'-P energy: -23.927
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: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -758.496017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.496017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.496017 (E_RNA)
where:
Base-Base interactions energy: -529.728
where: short stacking energy: -225.635
Base-Backbone interact. energy: -1.979
local terms energy: -226.788990
where:
bonds (distance) C4'-P energy: -48.905
bonds (distance) P-C4' energy: -41.516
flat angles C4'-P-C4' energy: -41.564
flat angles P-C4'-P energy: -32.153
tors. eta vs tors. theta energy: -62.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -734.449817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.449817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.449817 (E_RNA)
where:
Base-Base interactions energy: -506.708
where: short stacking energy: -211.525
Base-Backbone interact. energy: -0.307
local terms energy: -227.434530
where:
bonds (distance) C4'-P energy: -38.669
bonds (distance) P-C4' energy: -47.730
flat angles C4'-P-C4' energy: -46.071
flat angles P-C4'-P energy: -30.607
tors. eta vs tors. theta energy: -64.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -706.686303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.686303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.686303 (E_RNA)
where:
Base-Base interactions energy: -493.812
where: short stacking energy: -206.358
Base-Backbone interact. energy: -0.673
local terms energy: -212.200874
where:
bonds (distance) C4'-P energy: -34.140
bonds (distance) P-C4' energy: -46.257
flat angles C4'-P-C4' energy: -45.585
flat angles P-C4'-P energy: -28.310
tors. eta vs tors. theta energy: -57.909
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: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -708.893864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.893864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.893864 (E_RNA)
where:
Base-Base interactions energy: -473.056
where: short stacking energy: -207.760
Base-Backbone interact. energy: -0.795
local terms energy: -235.043231
where:
bonds (distance) C4'-P energy: -39.939
bonds (distance) P-C4' energy: -46.281
flat angles C4'-P-C4' energy: -53.217
flat angles P-C4'-P energy: -35.327
tors. eta vs tors. theta energy: -60.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -586.359058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.359058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.359058 (E_RNA)
where:
Base-Base interactions energy: -399.846
where: short stacking energy: -176.265
Base-Backbone interact. energy: 0.370
local terms energy: -186.882688
where:
bonds (distance) C4'-P energy: -43.191
bonds (distance) P-C4' energy: -39.963
flat angles C4'-P-C4' energy: -41.738
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -47.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -599.369263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.369263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.369263 (E_RNA)
where:
Base-Base interactions energy: -407.144
where: short stacking energy: -177.453
Base-Backbone interact. energy: 0.355
local terms energy: -192.580682
where:
bonds (distance) C4'-P energy: -39.091
bonds (distance) P-C4' energy: -42.162
flat angles C4'-P-C4' energy: -41.463
flat angles P-C4'-P energy: -26.819
tors. eta vs tors. theta energy: -43.046
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: 3
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -548.869585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.869585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.869585 (E_RNA)
where:
Base-Base interactions energy: -364.530
where: short stacking energy: -156.412
Base-Backbone interact. energy: -1.194
local terms energy: -183.145670
where:
bonds (distance) C4'-P energy: -42.592
bonds (distance) P-C4' energy: -34.610
flat angles C4'-P-C4' energy: -42.517
flat angles P-C4'-P energy: -24.783
tors. eta vs tors. theta energy: -38.643
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: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -433.106230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.106230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.106230 (E_RNA)
where:
Base-Base interactions energy: -272.063
where: short stacking energy: -121.827
Base-Backbone interact. energy: -1.854
local terms energy: -159.189781
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -45.366
flat angles P-C4'-P energy: -28.305
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -322.405985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.405985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.405985 (E_RNA)
where:
Base-Base interactions energy: -172.954
where: short stacking energy: -91.137
Base-Backbone interact. energy: -1.796
local terms energy: -147.656221
where:
bonds (distance) C4'-P energy: -45.827
bonds (distance) P-C4' energy: -31.196
flat angles C4'-P-C4' energy: -37.050
flat angles P-C4'-P energy: -22.906
tors. eta vs tors. theta energy: -10.676
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: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -276.999406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.999406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.999406 (E_RNA)
where:
Base-Base interactions energy: -144.923
where: short stacking energy: -87.420
Base-Backbone interact. energy: 2.919
local terms energy: -134.995478
where:
bonds (distance) C4'-P energy: -37.339
bonds (distance) P-C4' energy: -39.693
flat angles C4'-P-C4' energy: -33.270
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -4.152
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: 1, replica: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -767.760852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.760852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.760852 (E_RNA)
where:
Base-Base interactions energy: -542.497
where: short stacking energy: -226.015
Base-Backbone interact. energy: -0.841
local terms energy: -224.422179
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -48.835
flat angles C4'-P-C4' energy: -44.215
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -58.571
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: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -747.859833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.859833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.859833 (E_RNA)
where:
Base-Base interactions energy: -527.284
where: short stacking energy: -222.576
Base-Backbone interact. energy: -2.011
local terms energy: -218.564621
where:
bonds (distance) C4'-P energy: -47.261
bonds (distance) P-C4' energy: -46.674
flat angles C4'-P-C4' energy: -36.998
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -64.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -704.811344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.811344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.811344 (E_RNA)
where:
Base-Base interactions energy: -479.422
where: short stacking energy: -209.193
Base-Backbone interact. energy: -0.290
local terms energy: -225.099296
where:
bonds (distance) C4'-P energy: -37.839
bonds (distance) P-C4' energy: -45.383
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -62.222
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: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -704.862729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.862729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.862729 (E_RNA)
where:
Base-Base interactions energy: -492.389
where: short stacking energy: -209.218
Base-Backbone interact. energy: -0.148
local terms energy: -212.326012
where:
bonds (distance) C4'-P energy: -33.693
bonds (distance) P-C4' energy: -45.943
flat angles C4'-P-C4' energy: -40.518
flat angles P-C4'-P energy: -33.212
tors. eta vs tors. theta energy: -58.960
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: 7
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -609.288497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.288497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.288497 (E_RNA)
where:
Base-Base interactions energy: -413.201
where: short stacking energy: -175.086
Base-Backbone interact. energy: 0.654
local terms energy: -196.741226
where:
bonds (distance) C4'-P energy: -34.899
bonds (distance) P-C4' energy: -40.567
flat angles C4'-P-C4' energy: -43.896
flat angles P-C4'-P energy: -33.100
tors. eta vs tors. theta energy: -44.278
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: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -549.292879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.292879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.292879 (E_RNA)
where:
Base-Base interactions energy: -371.347
where: short stacking energy: -157.260
Base-Backbone interact. energy: -1.173
local terms energy: -176.773026
where:
bonds (distance) C4'-P energy: -31.907
bonds (distance) P-C4' energy: -41.300
flat angles C4'-P-C4' energy: -40.075
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: -40.055
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: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -560.200858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.200858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.200858 (E_RNA)
where:
Base-Base interactions energy: -380.906
where: short stacking energy: -179.546
Base-Backbone interact. energy: -0.338
local terms energy: -178.956123
where:
bonds (distance) C4'-P energy: -31.111
bonds (distance) P-C4' energy: -37.933
flat angles C4'-P-C4' energy: -41.633
flat angles P-C4'-P energy: -22.114
tors. eta vs tors. theta energy: -46.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -438.573083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.573083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.573083 (E_RNA)
where:
Base-Base interactions energy: -274.790
where: short stacking energy: -131.804
Base-Backbone interact. energy: -0.117
local terms energy: -163.666073
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -41.003
flat angles C4'-P-C4' energy: -29.805
flat angles P-C4'-P energy: -20.945
tors. eta vs tors. theta energy: -33.122
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: 10
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -354.393158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.393158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.393158 (E_RNA)
where:
Base-Base interactions energy: -223.350
where: short stacking energy: -105.634
Base-Backbone interact. energy: -1.275
local terms energy: -129.768077
where:
bonds (distance) C4'-P energy: -32.366
bonds (distance) P-C4' energy: -35.627
flat angles C4'-P-C4' energy: -22.963
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -22.542
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: 10, replica: 9
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -231.802215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.802215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.802215 (E_RNA)
where:
Base-Base interactions energy: -112.026
where: short stacking energy: -68.758
Base-Backbone interact. energy: 2.873
local terms energy: -122.649534
where:
bonds (distance) C4'-P energy: -33.756
bonds (distance) P-C4' energy: -49.459
flat angles C4'-P-C4' energy: -32.319
flat angles P-C4'-P energy: -17.657
tors. eta vs tors. theta energy: 10.541
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: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -737.795363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.795363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.795363 (E_RNA)
where:
Base-Base interactions energy: -515.958
where: short stacking energy: -202.600
Base-Backbone interact. energy: -1.192
local terms energy: -220.645510
where:
bonds (distance) C4'-P energy: -41.572
bonds (distance) P-C4' energy: -42.227
flat angles C4'-P-C4' energy: -44.475
flat angles P-C4'-P energy: -36.489
tors. eta vs tors. theta energy: -55.884
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: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -725.823525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.823525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.823525 (E_RNA)
where:
Base-Base interactions energy: -497.075
where: short stacking energy: -219.528
Base-Backbone interact. energy: -1.962
local terms energy: -226.786856
where:
bonds (distance) C4'-P energy: -43.723
bonds (distance) P-C4' energy: -39.671
flat angles C4'-P-C4' energy: -47.590
flat angles P-C4'-P energy: -28.629
tors. eta vs tors. theta energy: -67.174
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: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -744.131563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.131563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.131563 (E_RNA)
where:
Base-Base interactions energy: -508.793
where: short stacking energy: -214.011
Base-Backbone interact. energy: -1.994
local terms energy: -233.344067
where:
bonds (distance) C4'-P energy: -38.224
bonds (distance) P-C4' energy: -43.373
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -67.461
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: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -688.402936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.402936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.402936 (E_RNA)
where:
Base-Base interactions energy: -484.662
where: short stacking energy: -214.002
Base-Backbone interact. energy: -0.651
local terms energy: -203.090264
where:
bonds (distance) C4'-P energy: -33.701
bonds (distance) P-C4' energy: -28.729
flat angles C4'-P-C4' energy: -48.133
flat angles P-C4'-P energy: -31.468
tors. eta vs tors. theta energy: -61.059
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: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -591.198640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.198640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.198640 (E_RNA)
where:
Base-Base interactions energy: -410.531
where: short stacking energy: -174.554
Base-Backbone interact. energy: -1.253
local terms energy: -179.414864
where:
bonds (distance) C4'-P energy: -39.370
bonds (distance) P-C4' energy: -34.793
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -29.154
tors. eta vs tors. theta energy: -39.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -597.955609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.955609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.955609 (E_RNA)
where:
Base-Base interactions energy: -401.524
where: short stacking energy: -174.955
Base-Backbone interact. energy: -1.366
local terms energy: -195.065402
where:
bonds (distance) C4'-P energy: -42.982
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -25.549
tors. eta vs tors. theta energy: -50.498
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: 441
Temperature: 1.200000
Total energy: -524.446643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.446643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.446643 (E_RNA)
where:
Base-Base interactions energy: -353.474
where: short stacking energy: -162.687
Base-Backbone interact. energy: 3.868
local terms energy: -174.840564
where:
bonds (distance) C4'-P energy: -30.324
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -40.158
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -38.198
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: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -351.349735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.349735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.349735 (E_RNA)
where:
Base-Base interactions energy: -200.204
where: short stacking energy: -101.839
Base-Backbone interact. energy: -0.412
local terms energy: -150.733716
where:
bonds (distance) C4'-P energy: -41.546
bonds (distance) P-C4' energy: -29.811
flat angles C4'-P-C4' energy: -32.516
flat angles P-C4'-P energy: -22.500
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: 9, replica: 8
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -452.660803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.660803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.660803 (E_RNA)
where:
Base-Base interactions energy: -296.148
where: short stacking energy: -149.983
Base-Backbone interact. energy: 0.602
local terms energy: -157.114933
where:
bonds (distance) C4'-P energy: -23.381
bonds (distance) P-C4' energy: -29.370
flat angles C4'-P-C4' energy: -41.760
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -40.994
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: 10, replica: 9
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -249.731624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.731624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.731624 (E_RNA)
where:
Base-Base interactions energy: -125.819
where: short stacking energy: -69.440
Base-Backbone interact. energy: -2.160
local terms energy: -121.752798
where:
bonds (distance) C4'-P energy: -37.489
bonds (distance) P-C4' energy: -31.563
flat angles C4'-P-C4' energy: -33.799
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -740.525004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.525004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.525004 (E_RNA)
where:
Base-Base interactions energy: -515.397
where: short stacking energy: -220.862
Base-Backbone interact. energy: -0.518
local terms energy: -224.610953
where:
bonds (distance) C4'-P energy: -45.612
bonds (distance) P-C4' energy: -46.002
flat angles C4'-P-C4' energy: -48.190
flat angles P-C4'-P energy: -31.564
tors. eta vs tors. theta energy: -53.242
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: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -721.549675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.549675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.549675 (E_RNA)
where:
Base-Base interactions energy: -491.126
where: short stacking energy: -227.834
Base-Backbone interact. energy: -1.194
local terms energy: -229.229140
where:
bonds (distance) C4'-P energy: -44.706
bonds (distance) P-C4' energy: -34.571
flat angles C4'-P-C4' energy: -56.465
flat angles P-C4'-P energy: -28.674
tors. eta vs tors. theta energy: -64.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -703.596729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.596729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.596729 (E_RNA)
where:
Base-Base interactions energy: -492.353
where: short stacking energy: -217.498
Base-Backbone interact. energy: -0.728
local terms energy: -210.515210
where:
bonds (distance) C4'-P energy: -29.900
bonds (distance) P-C4' energy: -36.361
flat angles C4'-P-C4' energy: -48.600
flat angles P-C4'-P energy: -28.620
tors. eta vs tors. theta energy: -67.035
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: 4, replica: 6
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -731.401831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.401831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.401831 (E_RNA)
where:
Base-Base interactions energy: -505.910
where: short stacking energy: -212.950
Base-Backbone interact. energy: -1.522
local terms energy: -223.969267
where:
bonds (distance) C4'-P energy: -41.566
bonds (distance) P-C4' energy: -37.934
flat angles C4'-P-C4' energy: -46.862
flat angles P-C4'-P energy: -30.841
tors. eta vs tors. theta energy: -66.767
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: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -583.309062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.309062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.309062 (E_RNA)
where:
Base-Base interactions energy: -396.468
where: short stacking energy: -193.901
Base-Backbone interact. energy: 1.445
local terms energy: -188.285176
where:
bonds (distance) C4'-P energy: -35.078
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -27.227
tors. eta vs tors. theta energy: -50.818
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: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -584.201904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.201904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.201904 (E_RNA)
where:
Base-Base interactions energy: -390.196
where: short stacking energy: -178.690
Base-Backbone interact. energy: -0.505
local terms energy: -193.500360
where:
bonds (distance) C4'-P energy: -35.699
bonds (distance) P-C4' energy: -43.168
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -22.007
tors. eta vs tors. theta energy: -51.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -515.237839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.237839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.237839 (E_RNA)
where:
Base-Base interactions energy: -334.009
where: short stacking energy: -145.281
Base-Backbone interact. energy: -0.772
local terms energy: -180.457282
where:
bonds (distance) C4'-P energy: -46.220
bonds (distance) P-C4' energy: -33.140
flat angles C4'-P-C4' energy: -34.766
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -41.070
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: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -340.879259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.879259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.879259 (E_RNA)
where:
Base-Base interactions energy: -184.150
where: short stacking energy: -112.590
Base-Backbone interact. energy: 0.712
local terms energy: -157.441673
where:
bonds (distance) C4'-P energy: -42.106
bonds (distance) P-C4' energy: -44.668
flat angles C4'-P-C4' energy: -34.584
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -460.381979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.381979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.381979 (E_RNA)
where:
Base-Base interactions energy: -306.547
where: short stacking energy: -147.038
Base-Backbone interact. energy: 2.177
local terms energy: -156.011592
where:
bonds (distance) C4'-P energy: -33.814
bonds (distance) P-C4' energy: -38.357
flat angles C4'-P-C4' energy: -40.842
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -31.450
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: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -231.848168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.848168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.848168 (E_RNA)
where:
Base-Base interactions energy: -113.076
where: short stacking energy: -65.980
Base-Backbone interact. energy: -0.573
local terms energy: -118.199609
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -41.907
flat angles C4'-P-C4' energy: -39.032
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: 4.738
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: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -765.594939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.594939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.594939 (E_RNA)
where:
Base-Base interactions energy: -518.235
where: short stacking energy: -226.744
Base-Backbone interact. energy: -1.413
local terms energy: -245.946370
where:
bonds (distance) C4'-P energy: -49.597
bonds (distance) P-C4' energy: -45.753
flat angles C4'-P-C4' energy: -50.122
flat angles P-C4'-P energy: -34.787
tors. eta vs tors. theta energy: -65.688
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: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -727.020135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.020135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.020135 (E_RNA)
where:
Base-Base interactions energy: -486.239
where: short stacking energy: -220.484
Base-Backbone interact. energy: -2.072
local terms energy: -238.708928
where:
bonds (distance) C4'-P energy: -37.120
bonds (distance) P-C4' energy: -48.931
flat angles C4'-P-C4' energy: -55.004
flat angles P-C4'-P energy: -33.393
tors. eta vs tors. theta energy: -64.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -713.557571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.557571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.557571 (E_RNA)
where:
Base-Base interactions energy: -494.956
where: short stacking energy: -224.914
Base-Backbone interact. energy: -0.179
local terms energy: -218.422443
where:
bonds (distance) C4'-P energy: -40.179
bonds (distance) P-C4' energy: -37.731
flat angles C4'-P-C4' energy: -50.643
flat angles P-C4'-P energy: -28.130
tors. eta vs tors. theta energy: -61.739
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: 4, replica: 6
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -718.105048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.105048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.105048 (E_RNA)
where:
Base-Base interactions energy: -502.878
where: short stacking energy: -214.141
Base-Backbone interact. energy: -0.645
local terms energy: -214.582026
where:
bonds (distance) C4'-P energy: -37.928
bonds (distance) P-C4' energy: -38.025
flat angles C4'-P-C4' energy: -52.110
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -64.714
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: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -601.523741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.523741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.523741 (E_RNA)
where:
Base-Base interactions energy: -413.117
where: short stacking energy: -181.891
Base-Backbone interact. energy: 2.005
local terms energy: -190.411107
where:
bonds (distance) C4'-P energy: -37.985
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -45.547
flat angles P-C4'-P energy: -24.488
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: 6, replica: 3
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -538.387321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.387321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.387321 (E_RNA)
where:
Base-Base interactions energy: -343.699
where: short stacking energy: -140.348
Base-Backbone interact. energy: -1.356
local terms energy: -193.331876
where:
bonds (distance) C4'-P energy: -39.234
bonds (distance) P-C4' energy: -43.719
flat angles C4'-P-C4' energy: -49.163
flat angles P-C4'-P energy: -31.496
tors. eta vs tors. theta energy: -29.720
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: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -565.252434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.252434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.252434 (E_RNA)
where:
Base-Base interactions energy: -377.185
where: short stacking energy: -167.711
Base-Backbone interact. energy: 2.018
local terms energy: -190.084657
where:
bonds (distance) C4'-P energy: -32.258
bonds (distance) P-C4' energy: -42.460
flat angles C4'-P-C4' energy: -41.196
flat angles P-C4'-P energy: -32.040
tors. eta vs tors. theta energy: -42.131
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: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -469.603941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.603941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.603941 (E_RNA)
where:
Base-Base interactions energy: -290.696
where: short stacking energy: -140.824
Base-Backbone interact. energy: -0.343
local terms energy: -178.565217
where:
bonds (distance) C4'-P energy: -39.890
bonds (distance) P-C4' energy: -39.955
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -29.095
tors. eta vs tors. theta energy: -41.496
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: 443
Temperature: 1.300000
Total energy: -331.249889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.249889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.249889 (E_RNA)
where:
Base-Base interactions energy: -192.326
where: short stacking energy: -84.193
Base-Backbone interact. energy: -0.878
local terms energy: -138.045324
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -37.553
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -21.767
tors. eta vs tors. theta energy: -21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -239.051262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.051262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.051262 (E_RNA)
where:
Base-Base interactions energy: -125.843
where: short stacking energy: -69.461
Base-Backbone interact. energy: -1.670
local terms energy: -111.537599
where:
bonds (distance) C4'-P energy: -30.595
bonds (distance) P-C4' energy: -35.579
flat angles C4'-P-C4' energy: -27.581
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -1.586
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: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -737.654321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.654321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.654321 (E_RNA)
where:
Base-Base interactions energy: -510.751
where: short stacking energy: -221.951
Base-Backbone interact. energy: -0.285
local terms energy: -226.618497
where:
bonds (distance) C4'-P energy: -37.794
bonds (distance) P-C4' energy: -45.844
flat angles C4'-P-C4' energy: -48.289
flat angles P-C4'-P energy: -28.823
tors. eta vs tors. theta energy: -65.868
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: 4
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -740.205538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.205538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.205538 (E_RNA)
where:
Base-Base interactions energy: -512.875
where: short stacking energy: -213.247
Base-Backbone interact. energy: -0.090
local terms energy: -227.239733
where:
bonds (distance) C4'-P energy: -41.658
bonds (distance) P-C4' energy: -40.139
flat angles C4'-P-C4' energy: -49.386
flat angles P-C4'-P energy: -32.690
tors. eta vs tors. theta energy: -63.367
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: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -720.980692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.980692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.980692 (E_RNA)
where:
Base-Base interactions energy: -489.735
where: short stacking energy: -203.524
Base-Backbone interact. energy: -1.509
local terms energy: -229.736458
where:
bonds (distance) C4'-P energy: -45.833
bonds (distance) P-C4' energy: -33.161
flat angles C4'-P-C4' energy: -50.498
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -63.631
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: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -697.220407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.220407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.220407 (E_RNA)
where:
Base-Base interactions energy: -482.355
where: short stacking energy: -197.687
Base-Backbone interact. energy: -0.933
local terms energy: -213.931738
where:
bonds (distance) C4'-P energy: -36.167
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -47.140
flat angles P-C4'-P energy: -34.194
tors. eta vs tors. theta energy: -54.540
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: 7
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -587.777180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.777180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.777180 (E_RNA)
where:
Base-Base interactions energy: -389.877
where: short stacking energy: -188.615
Base-Backbone interact. energy: -1.067
local terms energy: -196.833071
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -44.522
flat angles C4'-P-C4' energy: -46.948
flat angles P-C4'-P energy: -26.785
tors. eta vs tors. theta energy: -38.433
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: 6, replica: 3
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -525.601968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.601968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.601968 (E_RNA)
where:
Base-Base interactions energy: -350.761
where: short stacking energy: -139.283
Base-Backbone interact. energy: -0.504
local terms energy: -174.336493
where:
bonds (distance) C4'-P energy: -36.737
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -38.909
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -40.438
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: 7, replica: 1
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -549.472108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.472108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.472108 (E_RNA)
where:
Base-Base interactions energy: -367.230
where: short stacking energy: -153.805
Base-Backbone interact. energy: -0.801
local terms energy: -181.441915
where:
bonds (distance) C4'-P energy: -31.709
bonds (distance) P-C4' energy: -37.276
flat angles C4'-P-C4' energy: -42.255
flat angles P-C4'-P energy: -33.543
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: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -434.523925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.523925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.523925 (E_RNA)
where:
Base-Base interactions energy: -275.552
where: short stacking energy: -135.754
Base-Backbone interact. energy: -0.329
local terms energy: -158.643822
where:
bonds (distance) C4'-P energy: -36.293
bonds (distance) P-C4' energy: -34.426
flat angles C4'-P-C4' energy: -40.481
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -25.579
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: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -368.260426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.260426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.260426 (E_RNA)
where:
Base-Base interactions energy: -205.085
where: short stacking energy: -106.253
Base-Backbone interact. energy: 0.841
local terms energy: -164.016100
where:
bonds (distance) C4'-P energy: -38.456
bonds (distance) P-C4' energy: -42.552
flat angles C4'-P-C4' energy: -40.714
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -19.366
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: 10, replica: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -254.555291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.555291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.555291 (E_RNA)
where:
Base-Base interactions energy: -139.856
where: short stacking energy: -65.116
Base-Backbone interact. energy: 1.875
local terms energy: -116.574388
where:
bonds (distance) C4'-P energy: -38.508
bonds (distance) P-C4' energy: -37.657
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: 3.564
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: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -740.122294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.122294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.122294 (E_RNA)
where:
Base-Base interactions energy: -498.989
where: short stacking energy: -214.326
Base-Backbone interact. energy: -2.504
local terms energy: -238.629216
where:
bonds (distance) C4'-P energy: -44.232
bonds (distance) P-C4' energy: -45.428
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: -63.256
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: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -749.635331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.635331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.635331 (E_RNA)
where:
Base-Base interactions energy: -520.215
where: short stacking energy: -215.153
Base-Backbone interact. energy: -1.751
local terms energy: -227.668472
where:
bonds (distance) C4'-P energy: -38.125
bonds (distance) P-C4' energy: -46.793
flat angles C4'-P-C4' energy: -45.000
flat angles P-C4'-P energy: -31.858
tors. eta vs tors. theta energy: -65.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -728.491122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.491122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.491122 (E_RNA)
where:
Base-Base interactions energy: -515.371
where: short stacking energy: -216.044
Base-Backbone interact. energy: -0.973
local terms energy: -212.146520
where:
bonds (distance) C4'-P energy: -38.014
bonds (distance) P-C4' energy: -41.853
flat angles C4'-P-C4' energy: -46.399
flat angles P-C4'-P energy: -28.761
tors. eta vs tors. theta energy: -57.119
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: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -699.310816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.310816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.310816 (E_RNA)
where:
Base-Base interactions energy: -489.866
where: short stacking energy: -207.692
Base-Backbone interact. energy: -0.130
local terms energy: -209.314998
where:
bonds (distance) C4'-P energy: -35.785
bonds (distance) P-C4' energy: -36.966
flat angles C4'-P-C4' energy: -44.634
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: -65.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -583.834315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.834315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.834315 (E_RNA)
where:
Base-Base interactions energy: -394.466
where: short stacking energy: -173.721
Base-Backbone interact. energy: -1.690
local terms energy: -187.678027
where:
bonds (distance) C4'-P energy: -36.293
bonds (distance) P-C4' energy: -41.444
flat angles C4'-P-C4' energy: -37.531
flat angles P-C4'-P energy: -29.051
tors. eta vs tors. theta energy: -43.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -591.937712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.937712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.937712 (E_RNA)
where:
Base-Base interactions energy: -415.513
where: short stacking energy: -179.246
Base-Backbone interact. energy: -0.810
local terms energy: -175.615310
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -31.247
flat angles C4'-P-C4' energy: -41.509
flat angles P-C4'-P energy: -24.106
tors. eta vs tors. theta energy: -50.501
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: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -544.597659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.597659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.597659 (E_RNA)
where:
Base-Base interactions energy: -368.673
where: short stacking energy: -158.992
Base-Backbone interact. energy: -0.704
local terms energy: -175.220305
where:
bonds (distance) C4'-P energy: -27.699
bonds (distance) P-C4' energy: -41.445
flat angles C4'-P-C4' energy: -42.798
flat angles P-C4'-P energy: -21.260
tors. eta vs tors. theta energy: -42.019
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: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -499.254800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.254800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.254800 (E_RNA)
where:
Base-Base interactions energy: -319.709
where: short stacking energy: -141.867
Base-Backbone interact. energy: 0.537
local terms energy: -180.082634
where:
bonds (distance) C4'-P energy: -38.009
bonds (distance) P-C4' energy: -39.809
flat angles C4'-P-C4' energy: -39.117
flat angles P-C4'-P energy: -27.357
tors. eta vs tors. theta energy: -35.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -337.113830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.113830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.113830 (E_RNA)
where:
Base-Base interactions energy: -176.792
where: short stacking energy: -102.156
Base-Backbone interact. energy: 1.410
local terms energy: -161.732335
where:
bonds (distance) C4'-P energy: -42.774
bonds (distance) P-C4' energy: -39.653
flat angles C4'-P-C4' energy: -38.308
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -18.916
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: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -256.517824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.517824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.517824 (E_RNA)
where:
Base-Base interactions energy: -114.067
where: short stacking energy: -80.670
Base-Backbone interact. energy: -0.480
local terms energy: -141.970302
where:
bonds (distance) C4'-P energy: -34.885
bonds (distance) P-C4' energy: -40.805
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -18.675
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: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -764.744302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.744302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.744302 (E_RNA)
where:
Base-Base interactions energy: -522.519
where: short stacking energy: -208.241
Base-Backbone interact. energy: 1.837
local terms energy: -244.062123
where:
bonds (distance) C4'-P energy: -44.077
bonds (distance) P-C4' energy: -46.752
flat angles C4'-P-C4' energy: -51.086
flat angles P-C4'-P energy: -37.193
tors. eta vs tors. theta energy: -64.954
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: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -740.356496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.356496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.356496 (E_RNA)
where:
Base-Base interactions energy: -501.551
where: short stacking energy: -226.325
Base-Backbone interact. energy: 1.052
local terms energy: -239.857856
where:
bonds (distance) C4'-P energy: -44.187
bonds (distance) P-C4' energy: -43.021
flat angles C4'-P-C4' energy: -48.316
flat angles P-C4'-P energy: -36.743
tors. eta vs tors. theta energy: -67.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -736.347368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.347368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.347368 (E_RNA)
where:
Base-Base interactions energy: -510.184
where: short stacking energy: -227.261
Base-Backbone interact. energy: 1.036
local terms energy: -227.199991
where:
bonds (distance) C4'-P energy: -40.753
bonds (distance) P-C4' energy: -45.825
flat angles C4'-P-C4' energy: -49.692
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -56.663
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: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -696.266997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.266997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.266997 (E_RNA)
where:
Base-Base interactions energy: -489.283
where: short stacking energy: -209.820
Base-Backbone interact. energy: -0.769
local terms energy: -206.214228
where:
bonds (distance) C4'-P energy: -37.184
bonds (distance) P-C4' energy: -34.460
flat angles C4'-P-C4' energy: -47.850
flat angles P-C4'-P energy: -21.185
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: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -617.433643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.433643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.433643 (E_RNA)
where:
Base-Base interactions energy: -419.741
where: short stacking energy: -182.870
Base-Backbone interact. energy: -0.879
local terms energy: -196.813813
where:
bonds (distance) C4'-P energy: -35.951
bonds (distance) P-C4' energy: -42.464
flat angles C4'-P-C4' energy: -49.019
flat angles P-C4'-P energy: -26.750
tors. eta vs tors. theta energy: -42.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -555.031587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.031587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.031587 (E_RNA)
where:
Base-Base interactions energy: -365.039
where: short stacking energy: -180.287
Base-Backbone interact. energy: -0.200
local terms energy: -189.792235
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -41.717
flat angles C4'-P-C4' energy: -48.533
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -42.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -556.447242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.447242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.447242 (E_RNA)
where:
Base-Base interactions energy: -387.779
where: short stacking energy: -175.543
Base-Backbone interact. energy: -0.549
local terms energy: -168.119208
where:
bonds (distance) C4'-P energy: -38.627
bonds (distance) P-C4' energy: -41.139
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -37.049
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: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -482.638137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.638137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.638137 (E_RNA)
where:
Base-Base interactions energy: -302.746
where: short stacking energy: -130.558
Base-Backbone interact. energy: -0.726
local terms energy: -179.165390
where:
bonds (distance) C4'-P energy: -31.274
bonds (distance) P-C4' energy: -45.464
flat angles C4'-P-C4' energy: -45.258
flat angles P-C4'-P energy: -25.407
tors. eta vs tors. theta energy: -31.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -301.862176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.862176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.862176 (E_RNA)
where:
Base-Base interactions energy: -170.007
where: short stacking energy: -91.525
Base-Backbone interact. energy: -0.220
local terms energy: -131.634431
where:
bonds (distance) C4'-P energy: -39.979
bonds (distance) P-C4' energy: -33.621
flat angles C4'-P-C4' energy: -26.029
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -8.975
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: 9
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -214.310957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.310957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.310957 (E_RNA)
where:
Base-Base interactions energy: -92.600
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.342
local terms energy: -121.369172
where:
bonds (distance) C4'-P energy: -40.971
bonds (distance) P-C4' energy: -35.228
flat angles C4'-P-C4' energy: -27.577
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: 1.147
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: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -770.550749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.550749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.550749 (E_RNA)
where:
Base-Base interactions energy: -519.652
where: short stacking energy: -221.060
Base-Backbone interact. energy: -0.547
local terms energy: -250.352430
where:
bonds (distance) C4'-P energy: -47.871
bonds (distance) P-C4' energy: -46.693
flat angles C4'-P-C4' energy: -48.269
flat angles P-C4'-P energy: -35.689
tors. eta vs tors. theta energy: -71.831
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: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -710.102473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.102473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.102473 (E_RNA)
where:
Base-Base interactions energy: -486.819
where: short stacking energy: -215.029
Base-Backbone interact. energy: 1.006
local terms energy: -224.289695
where:
bonds (distance) C4'-P energy: -41.278
bonds (distance) P-C4' energy: -38.710
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -29.769
tors. eta vs tors. theta energy: -61.931
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: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -724.448923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.448923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.448923 (E_RNA)
where:
Base-Base interactions energy: -511.716
where: short stacking energy: -217.549
Base-Backbone interact. energy: -1.859
local terms energy: -210.873665
where:
bonds (distance) C4'-P energy: -41.313
bonds (distance) P-C4' energy: -29.742
flat angles C4'-P-C4' energy: -47.354
flat angles P-C4'-P energy: -33.303
tors. eta vs tors. theta energy: -59.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -709.344176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.344176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.344176 (E_RNA)
where:
Base-Base interactions energy: -485.308
where: short stacking energy: -197.798
Base-Backbone interact. energy: -1.170
local terms energy: -222.865858
where:
bonds (distance) C4'-P energy: -42.913
bonds (distance) P-C4' energy: -49.707
flat angles C4'-P-C4' energy: -45.197
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -58.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -634.198460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.198460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.198460 (E_RNA)
where:
Base-Base interactions energy: -419.846
where: short stacking energy: -193.036
Base-Backbone interact. energy: -1.248
local terms energy: -213.104017
where:
bonds (distance) C4'-P energy: -43.475
bonds (distance) P-C4' energy: -42.463
flat angles C4'-P-C4' energy: -43.315
flat angles P-C4'-P energy: -29.251
tors. eta vs tors. theta energy: -54.600
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: 3
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -559.619104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.619104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.619104 (E_RNA)
where:
Base-Base interactions energy: -369.808
where: short stacking energy: -168.206
Base-Backbone interact. energy: -0.211
local terms energy: -189.600512
where:
bonds (distance) C4'-P energy: -36.441
bonds (distance) P-C4' energy: -32.518
flat angles C4'-P-C4' energy: -48.553
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -47.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -543.574013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.574013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.574013 (E_RNA)
where:
Base-Base interactions energy: -346.648
where: short stacking energy: -152.633
Base-Backbone interact. energy: -0.055
local terms energy: -196.871103
where:
bonds (distance) C4'-P energy: -40.424
bonds (distance) P-C4' energy: -44.598
flat angles C4'-P-C4' energy: -46.386
flat angles P-C4'-P energy: -25.997
tors. eta vs tors. theta energy: -39.466
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: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -484.883192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.883192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.883192 (E_RNA)
where:
Base-Base interactions energy: -309.855
where: short stacking energy: -142.444
Base-Backbone interact. energy: 1.191
local terms energy: -176.219368
where:
bonds (distance) C4'-P energy: -45.261
bonds (distance) P-C4' energy: -38.708
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -27.179
tors. eta vs tors. theta energy: -32.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -201.995279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.995279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.995279 (E_RNA)
where:
Base-Base interactions energy: -68.948
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.371
local terms energy: -132.676429
where:
bonds (distance) C4'-P energy: -37.994
bonds (distance) P-C4' energy: -40.949
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -25.936
tors. eta vs tors. theta energy: 2.787
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: 10, replica: 9
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -192.078780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.078780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.078780 (E_RNA)
where:
Base-Base interactions energy: -76.398
where: short stacking energy: -73.206
Base-Backbone interact. energy: 4.495
local terms energy: -120.176657
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -40.182
flat angles C4'-P-C4' energy: -41.994
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: 1.955
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: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -780.765115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.765115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.765115 (E_RNA)
where:
Base-Base interactions energy: -536.111
where: short stacking energy: -225.928
Base-Backbone interact. energy: -1.173
local terms energy: -243.480740
where:
bonds (distance) C4'-P energy: -44.965
bonds (distance) P-C4' energy: -44.726
flat angles C4'-P-C4' energy: -49.067
flat angles P-C4'-P energy: -35.452
tors. eta vs tors. theta energy: -69.270
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: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -719.448047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.448047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.448047 (E_RNA)
where:
Base-Base interactions energy: -481.382
where: short stacking energy: -213.470
Base-Backbone interact. energy: -0.528
local terms energy: -237.537811
where:
bonds (distance) C4'-P energy: -39.364
bonds (distance) P-C4' energy: -46.872
flat angles C4'-P-C4' energy: -46.839
flat angles P-C4'-P energy: -36.626
tors. eta vs tors. theta energy: -67.838
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: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -738.273047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.273047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.273047 (E_RNA)
where:
Base-Base interactions energy: -508.788
where: short stacking energy: -223.307
Base-Backbone interact. energy: -2.168
local terms energy: -227.316286
where:
bonds (distance) C4'-P energy: -48.819
bonds (distance) P-C4' energy: -36.834
flat angles C4'-P-C4' energy: -51.624
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: -58.682
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: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -703.477061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.477061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.477061 (E_RNA)
where:
Base-Base interactions energy: -488.554
where: short stacking energy: -207.625
Base-Backbone interact. energy: -0.046
local terms energy: -214.877460
where:
bonds (distance) C4'-P energy: -34.951
bonds (distance) P-C4' energy: -40.808
flat angles C4'-P-C4' energy: -49.147
flat angles P-C4'-P energy: -33.048
tors. eta vs tors. theta energy: -56.922
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: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -622.555622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.555622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.555622 (E_RNA)
where:
Base-Base interactions energy: -419.268
where: short stacking energy: -190.825
Base-Backbone interact. energy: -0.117
local terms energy: -203.170970
where:
bonds (distance) C4'-P energy: -35.791
bonds (distance) P-C4' energy: -44.486
flat angles C4'-P-C4' energy: -42.618
flat angles P-C4'-P energy: -29.275
tors. eta vs tors. theta energy: -51.002
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: 448
Temperature: 1.150000
Total energy: -577.448904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.448904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.448904 (E_RNA)
where:
Base-Base interactions energy: -376.716
where: short stacking energy: -186.102
Base-Backbone interact. energy: -1.509
local terms energy: -199.223941
where:
bonds (distance) C4'-P energy: -35.502
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -50.549
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -46.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -566.035661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.035661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.035661 (E_RNA)
where:
Base-Base interactions energy: -372.105
where: short stacking energy: -177.193
Base-Backbone interact. energy: -1.400
local terms energy: -192.530312
where:
bonds (distance) C4'-P energy: -44.743
bonds (distance) P-C4' energy: -35.110
flat angles C4'-P-C4' energy: -39.699
flat angles P-C4'-P energy: -28.970
tors. eta vs tors. theta energy: -44.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -477.768324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.768324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.768324 (E_RNA)
where:
Base-Base interactions energy: -294.265
where: short stacking energy: -142.613
Base-Backbone interact. energy: -1.087
local terms energy: -182.416358
where:
bonds (distance) C4'-P energy: -39.053
bonds (distance) P-C4' energy: -35.514
flat angles C4'-P-C4' energy: -46.518
flat angles P-C4'-P energy: -25.385
tors. eta vs tors. theta energy: -35.946
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: 9, replica: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -220.720493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.720493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.720493 (E_RNA)
where:
Base-Base interactions energy: -72.410
where: short stacking energy: -65.969
Base-Backbone interact. energy: 0.919
local terms energy: -149.229602
where:
bonds (distance) C4'-P energy: -37.892
bonds (distance) P-C4' energy: -45.944
flat angles C4'-P-C4' energy: -43.950
flat angles P-C4'-P energy: -21.383
tors. eta vs tors. theta energy: -0.061
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: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -208.059024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.059024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.059024 (E_RNA)
where:
Base-Base interactions energy: -77.352
where: short stacking energy: -72.571
Base-Backbone interact. energy: -1.282
local terms energy: -129.425582
where:
bonds (distance) C4'-P energy: -37.763
bonds (distance) P-C4' energy: -39.885
flat angles C4'-P-C4' energy: -32.257
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -4.105
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: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -786.765097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.765097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.765097 (E_RNA)
where:
Base-Base interactions energy: -537.449
where: short stacking energy: -228.560
Base-Backbone interact. energy: -1.509
local terms energy: -247.807539
where:
bonds (distance) C4'-P energy: -40.552
bonds (distance) P-C4' energy: -43.456
flat angles C4'-P-C4' energy: -55.902
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -73.976
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: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -738.310877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.310877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.310877 (E_RNA)
where:
Base-Base interactions energy: -501.833
where: short stacking energy: -221.647
Base-Backbone interact. energy: -2.262
local terms energy: -234.215395
where:
bonds (distance) C4'-P energy: -40.592
bonds (distance) P-C4' energy: -45.453
flat angles C4'-P-C4' energy: -50.531
flat angles P-C4'-P energy: -27.624
tors. eta vs tors. theta energy: -70.016
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: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -731.992301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.992301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.992301 (E_RNA)
where:
Base-Base interactions energy: -504.414
where: short stacking energy: -212.191
Base-Backbone interact. energy: -0.863
local terms energy: -226.715448
where:
bonds (distance) C4'-P energy: -47.038
bonds (distance) P-C4' energy: -43.648
flat angles C4'-P-C4' energy: -46.563
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -57.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -705.211155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.211155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.211155 (E_RNA)
where:
Base-Base interactions energy: -481.094
where: short stacking energy: -183.472
Base-Backbone interact. energy: -0.330
local terms energy: -223.787121
where:
bonds (distance) C4'-P energy: -46.018
bonds (distance) P-C4' energy: -40.444
flat angles C4'-P-C4' energy: -43.581
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: -60.363
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: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -632.060417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.060417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.060417 (E_RNA)
where:
Base-Base interactions energy: -426.270
where: short stacking energy: -193.550
Base-Backbone interact. energy: -0.417
local terms energy: -205.373153
where:
bonds (distance) C4'-P energy: -43.329
bonds (distance) P-C4' energy: -33.578
flat angles C4'-P-C4' energy: -44.486
flat angles P-C4'-P energy: -32.144
tors. eta vs tors. theta energy: -51.836
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: 6, replica: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -568.389077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.389077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.389077 (E_RNA)
where:
Base-Base interactions energy: -391.122
where: short stacking energy: -180.366
Base-Backbone interact. energy: 0.958
local terms energy: -178.225140
where:
bonds (distance) C4'-P energy: -40.140
bonds (distance) P-C4' energy: -39.033
flat angles C4'-P-C4' energy: -33.250
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -39.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -543.606543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.606543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.606543 (E_RNA)
where:
Base-Base interactions energy: -360.058
where: short stacking energy: -163.629
Base-Backbone interact. energy: -0.725
local terms energy: -182.823648
where:
bonds (distance) C4'-P energy: -39.490
bonds (distance) P-C4' energy: -35.903
flat angles C4'-P-C4' energy: -44.904
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -41.298
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: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -420.848729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.848729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.848729 (E_RNA)
where:
Base-Base interactions energy: -260.244
where: short stacking energy: -136.759
Base-Backbone interact. energy: -0.681
local terms energy: -159.923871
where:
bonds (distance) C4'-P energy: -29.670
bonds (distance) P-C4' energy: -44.999
flat angles C4'-P-C4' energy: -39.284
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -233.069041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.069041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.069041 (E_RNA)
where:
Base-Base interactions energy: -97.953
where: short stacking energy: -75.351
Base-Backbone interact. energy: -1.908
local terms energy: -133.208617
where:
bonds (distance) C4'-P energy: -38.391
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -18.727
tors. eta vs tors. theta energy: 3.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -188.777114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.777114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.777114 (E_RNA)
where:
Base-Base interactions energy: -66.528
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.727
local terms energy: -121.522302
where:
bonds (distance) C4'-P energy: -38.114
bonds (distance) P-C4' energy: -44.241
flat angles C4'-P-C4' energy: -34.683
flat angles P-C4'-P energy: -5.605
tors. eta vs tors. theta energy: 1.119
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: 6
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -768.537562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.537562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.537562 (E_RNA)
where:
Base-Base interactions energy: -540.534
where: short stacking energy: -231.121
Base-Backbone interact. energy: -1.956
local terms energy: -226.047898
where:
bonds (distance) C4'-P energy: -36.256
bonds (distance) P-C4' energy: -44.551
flat angles C4'-P-C4' energy: -43.768
flat angles P-C4'-P energy: -34.676
tors. eta vs tors. theta energy: -66.796
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: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -718.414256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.414256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.414256 (E_RNA)
where:
Base-Base interactions energy: -486.207
where: short stacking energy: -221.667
Base-Backbone interact. energy: -1.971
local terms energy: -230.236717
where:
bonds (distance) C4'-P energy: -36.723
bonds (distance) P-C4' energy: -41.189
flat angles C4'-P-C4' energy: -48.149
flat angles P-C4'-P energy: -36.806
tors. eta vs tors. theta energy: -67.371
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: 4
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -738.467981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.467981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.467981 (E_RNA)
where:
Base-Base interactions energy: -522.945
where: short stacking energy: -225.621
Base-Backbone interact. energy: -0.692
local terms energy: -214.830395
where:
bonds (distance) C4'-P energy: -43.048
bonds (distance) P-C4' energy: -38.062
flat angles C4'-P-C4' energy: -45.511
flat angles P-C4'-P energy: -30.928
tors. eta vs tors. theta energy: -57.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -695.916440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.916440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.916440 (E_RNA)
where:
Base-Base interactions energy: -493.522
where: short stacking energy: -205.654
Base-Backbone interact. energy: -1.310
local terms energy: -201.084354
where:
bonds (distance) C4'-P energy: -29.419
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -46.838
flat angles P-C4'-P energy: -28.907
tors. eta vs tors. theta energy: -57.907
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: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -607.050959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.050959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.050959 (E_RNA)
where:
Base-Base interactions energy: -407.610
where: short stacking energy: -183.724
Base-Backbone interact. energy: -2.777
local terms energy: -196.663991
where:
bonds (distance) C4'-P energy: -37.845
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -49.360
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: -41.097
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: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -560.671808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.671808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.671808 (E_RNA)
where:
Base-Base interactions energy: -371.925
where: short stacking energy: -183.232
Base-Backbone interact. energy: -1.545
local terms energy: -187.201569
where:
bonds (distance) C4'-P energy: -35.343
bonds (distance) P-C4' energy: -34.942
flat angles C4'-P-C4' energy: -39.244
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -51.755
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: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -451.224264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.224264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.224264 (E_RNA)
where:
Base-Base interactions energy: -277.362
where: short stacking energy: -144.309
Base-Backbone interact. energy: -0.097
local terms energy: -173.765066
where:
bonds (distance) C4'-P energy: -39.151
bonds (distance) P-C4' energy: -43.892
flat angles C4'-P-C4' energy: -38.062
flat angles P-C4'-P energy: -20.436
tors. eta vs tors. theta energy: -32.225
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: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -505.582102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.582102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.582102 (E_RNA)
where:
Base-Base interactions energy: -335.239
where: short stacking energy: -143.489
Base-Backbone interact. energy: -0.813
local terms energy: -169.530007
where:
bonds (distance) C4'-P energy: -39.517
bonds (distance) P-C4' energy: -34.332
flat angles C4'-P-C4' energy: -41.170
flat angles P-C4'-P energy: -22.971
tors. eta vs tors. theta energy: -31.539
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: 9, replica: 10
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -224.764160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.764160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.764160 (E_RNA)
where:
Base-Base interactions energy: -89.066
where: short stacking energy: -62.549
Base-Backbone interact. energy: -0.451
local terms energy: -135.247081
where:
bonds (distance) C4'-P energy: -37.673
bonds (distance) P-C4' energy: -42.338
flat angles C4'-P-C4' energy: -31.771
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -0.462
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: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -194.341537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.341537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.341537 (E_RNA)
where:
Base-Base interactions energy: -82.385
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.849
local terms energy: -111.108258
where:
bonds (distance) C4'-P energy: -29.857
bonds (distance) P-C4' energy: -36.792
flat angles C4'-P-C4' energy: -27.766
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -3.657
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: 6
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -778.180022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.180022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.180022 (E_RNA)
where:
Base-Base interactions energy: -537.970
where: short stacking energy: -223.920
Base-Backbone interact. energy: -4.554
local terms energy: -235.655960
where:
bonds (distance) C4'-P energy: -41.335
bonds (distance) P-C4' energy: -43.181
flat angles C4'-P-C4' energy: -50.157
flat angles P-C4'-P energy: -32.072
tors. eta vs tors. theta energy: -68.912
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: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -735.125335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.125335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.125335 (E_RNA)
where:
Base-Base interactions energy: -517.510
where: short stacking energy: -213.271
Base-Backbone interact. energy: -2.828
local terms energy: -214.786994
where:
bonds (distance) C4'-P energy: -38.539
bonds (distance) P-C4' energy: -45.022
flat angles C4'-P-C4' energy: -48.204
flat angles P-C4'-P energy: -27.725
tors. eta vs tors. theta energy: -55.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -710.827103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.827103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.827103 (E_RNA)
where:
Base-Base interactions energy: -470.470
where: short stacking energy: -215.123
Base-Backbone interact. energy: -0.966
local terms energy: -239.391237
where:
bonds (distance) C4'-P energy: -41.830
bonds (distance) P-C4' energy: -40.075
flat angles C4'-P-C4' energy: -48.283
flat angles P-C4'-P energy: -41.523
tors. eta vs tors. theta energy: -67.679
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: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -704.037469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.037469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.037469 (E_RNA)
where:
Base-Base interactions energy: -495.866
where: short stacking energy: -208.721
Base-Backbone interact. energy: -0.531
local terms energy: -207.640479
where:
bonds (distance) C4'-P energy: -32.392
bonds (distance) P-C4' energy: -36.619
flat angles C4'-P-C4' energy: -43.881
flat angles P-C4'-P energy: -33.292
tors. eta vs tors. theta energy: -61.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -619.348433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.348433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.348433 (E_RNA)
where:
Base-Base interactions energy: -416.722
where: short stacking energy: -197.207
Base-Backbone interact. energy: -0.410
local terms energy: -202.217134
where:
bonds (distance) C4'-P energy: -39.913
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -43.411
flat angles P-C4'-P energy: -30.797
tors. eta vs tors. theta energy: -56.237
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: 6, replica: 3
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -579.215184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.215184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.215184 (E_RNA)
where:
Base-Base interactions energy: -373.656
where: short stacking energy: -176.824
Base-Backbone interact. energy: -1.559
local terms energy: -203.999807
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -40.599
flat angles C4'-P-C4' energy: -41.520
flat angles P-C4'-P energy: -33.410
tors. eta vs tors. theta energy: -51.284
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: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -493.923615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.923615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.923615 (E_RNA)
where:
Base-Base interactions energy: -316.241
where: short stacking energy: -153.151
Base-Backbone interact. energy: 0.270
local terms energy: -177.952650
where:
bonds (distance) C4'-P energy: -42.932
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -47.373
flat angles P-C4'-P energy: -23.478
tors. eta vs tors. theta energy: -28.932
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: 7
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -500.782168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.782168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.782168 (E_RNA)
where:
Base-Base interactions energy: -332.188
where: short stacking energy: -164.024
Base-Backbone interact. energy: -0.743
local terms energy: -167.851088
where:
bonds (distance) C4'-P energy: -34.892
bonds (distance) P-C4' energy: -38.143
flat angles C4'-P-C4' energy: -39.346
flat angles P-C4'-P energy: -21.757
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: 9, replica: 10
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -270.229270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.229270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.229270 (E_RNA)
where:
Base-Base interactions energy: -132.007
where: short stacking energy: -94.240
Base-Backbone interact. energy: -1.167
local terms energy: -137.055691
where:
bonds (distance) C4'-P energy: -29.673
bonds (distance) P-C4' energy: -32.958
flat angles C4'-P-C4' energy: -32.162
flat angles P-C4'-P energy: -18.337
tors. eta vs tors. theta energy: -23.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -210.213927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.213927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.213927 (E_RNA)
where:
Base-Base interactions energy: -86.424
where: short stacking energy: -63.091
Base-Backbone interact. energy: 2.111
local terms energy: -125.901692
where:
bonds (distance) C4'-P energy: -34.757
bonds (distance) P-C4' energy: -37.335
flat angles C4'-P-C4' energy: -31.092
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -5.591
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: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -778.953501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.953501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.953501 (E_RNA)
where:
Base-Base interactions energy: -542.448
where: short stacking energy: -230.481
Base-Backbone interact. energy: -3.410
local terms energy: -233.095400
where:
bonds (distance) C4'-P energy: -43.214
bonds (distance) P-C4' energy: -45.983
flat angles C4'-P-C4' energy: -41.313
flat angles P-C4'-P energy: -29.713
tors. eta vs tors. theta energy: -72.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -735.807618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.807618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.807618 (E_RNA)
where:
Base-Base interactions energy: -520.942
where: short stacking energy: -229.165
Base-Backbone interact. energy: 1.693
local terms energy: -216.558291
where:
bonds (distance) C4'-P energy: -42.556
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -46.847
flat angles P-C4'-P energy: -29.639
tors. eta vs tors. theta energy: -57.435
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: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -720.080381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.080381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.080381 (E_RNA)
where:
Base-Base interactions energy: -493.784
where: short stacking energy: -222.160
Base-Backbone interact. energy: -1.799
local terms energy: -224.496925
where:
bonds (distance) C4'-P energy: -41.274
bonds (distance) P-C4' energy: -41.818
flat angles C4'-P-C4' energy: -49.731
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -66.784
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: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -691.018015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.018015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.018015 (E_RNA)
where:
Base-Base interactions energy: -462.181
where: short stacking energy: -213.472
Base-Backbone interact. energy: -0.440
local terms energy: -228.396835
where:
bonds (distance) C4'-P energy: -43.142
bonds (distance) P-C4' energy: -39.548
flat angles C4'-P-C4' energy: -45.864
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: -65.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -624.229687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.229687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.229687 (E_RNA)
where:
Base-Base interactions energy: -426.205
where: short stacking energy: -190.524
Base-Backbone interact. energy: -0.394
local terms energy: -197.630680
where:
bonds (distance) C4'-P energy: -39.666
bonds (distance) P-C4' energy: -39.123
flat angles C4'-P-C4' energy: -44.588
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -50.692
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: 3
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -556.932516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.932516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.932516 (E_RNA)
where:
Base-Base interactions energy: -361.802
where: short stacking energy: -167.672
Base-Backbone interact. energy: -0.613
local terms energy: -194.516993
where:
bonds (distance) C4'-P energy: -39.804
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -33.359
flat angles P-C4'-P energy: -27.338
tors. eta vs tors. theta energy: -47.279
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: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -537.032320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.032320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.032320 (E_RNA)
where:
Base-Base interactions energy: -355.220
where: short stacking energy: -174.102
Base-Backbone interact. energy: -0.159
local terms energy: -181.653363
where:
bonds (distance) C4'-P energy: -33.704
bonds (distance) P-C4' energy: -35.214
flat angles C4'-P-C4' energy: -47.021
flat angles P-C4'-P energy: -24.885
tors. eta vs tors. theta energy: -40.829
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: 452
Temperature: 1.250000
Total energy: -405.733707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.733707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.733707 (E_RNA)
where:
Base-Base interactions energy: -240.078
where: short stacking energy: -125.499
Base-Backbone interact. energy: -1.343
local terms energy: -164.312269
where:
bonds (distance) C4'-P energy: -35.498
bonds (distance) P-C4' energy: -41.129
flat angles C4'-P-C4' energy: -39.747
flat angles P-C4'-P energy: -21.451
tors. eta vs tors. theta energy: -26.487
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: 10
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -229.866183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.866183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.866183 (E_RNA)
where:
Base-Base interactions energy: -96.434
where: short stacking energy: -54.501
Base-Backbone interact. energy: -0.511
local terms energy: -132.921977
where:
bonds (distance) C4'-P energy: -40.887
bonds (distance) P-C4' energy: -31.142
flat angles C4'-P-C4' energy: -41.719
flat angles P-C4'-P energy: -24.823
tors. eta vs tors. theta energy: 5.649
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: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -199.705154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.705154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.705154 (E_RNA)
where:
Base-Base interactions energy: -73.841
where: short stacking energy: -62.752
Base-Backbone interact. energy: -0.295
local terms energy: -125.568790
where:
bonds (distance) C4'-P energy: -32.157
bonds (distance) P-C4' energy: -38.319
flat angles C4'-P-C4' energy: -29.772
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -5.022
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: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -771.610108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.610108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.610108 (E_RNA)
where:
Base-Base interactions energy: -531.935
where: short stacking energy: -216.754
Base-Backbone interact. energy: -1.058
local terms energy: -238.616921
where:
bonds (distance) C4'-P energy: -41.090
bonds (distance) P-C4' energy: -45.160
flat angles C4'-P-C4' energy: -43.909
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -70.760
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: 2, replica: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -729.074237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.074237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.074237 (E_RNA)
where:
Base-Base interactions energy: -496.159
where: short stacking energy: -220.030
Base-Backbone interact. energy: -1.517
local terms energy: -231.397793
where:
bonds (distance) C4'-P energy: -33.362
bonds (distance) P-C4' energy: -46.668
flat angles C4'-P-C4' energy: -49.564
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -69.451
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: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -733.300318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.300318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.300318 (E_RNA)
where:
Base-Base interactions energy: -524.691
where: short stacking energy: -208.528
Base-Backbone interact. energy: -0.775
local terms energy: -207.834344
where:
bonds (distance) C4'-P energy: -38.749
bonds (distance) P-C4' energy: -34.087
flat angles C4'-P-C4' energy: -48.571
flat angles P-C4'-P energy: -26.088
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: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -693.742595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.742595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.742595 (E_RNA)
where:
Base-Base interactions energy: -466.761
where: short stacking energy: -211.472
Base-Backbone interact. energy: -0.088
local terms energy: -226.893748
where:
bonds (distance) C4'-P energy: -36.937
bonds (distance) P-C4' energy: -44.010
flat angles C4'-P-C4' energy: -51.722
flat angles P-C4'-P energy: -28.820
tors. eta vs tors. theta energy: -65.405
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: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -610.708226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.708226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.708226 (E_RNA)
where:
Base-Base interactions energy: -419.929
where: short stacking energy: -201.349
Base-Backbone interact. energy: -1.666
local terms energy: -189.113674
where:
bonds (distance) C4'-P energy: -28.769
bonds (distance) P-C4' energy: -38.656
flat angles C4'-P-C4' energy: -39.184
flat angles P-C4'-P energy: -29.412
tors. eta vs tors. theta energy: -53.093
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: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -565.653673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.653673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.653673 (E_RNA)
where:
Base-Base interactions energy: -375.471
where: short stacking energy: -153.544
Base-Backbone interact. energy: -1.992
local terms energy: -188.190715
where:
bonds (distance) C4'-P energy: -42.214
bonds (distance) P-C4' energy: -36.474
flat angles C4'-P-C4' energy: -46.563
flat angles P-C4'-P energy: -28.895
tors. eta vs tors. theta energy: -34.044
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: 7, replica: 7
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -517.459103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.459103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.459103 (E_RNA)
where:
Base-Base interactions energy: -333.936
where: short stacking energy: -174.295
Base-Backbone interact. energy: -0.445
local terms energy: -183.077389
where:
bonds (distance) C4'-P energy: -33.281
bonds (distance) P-C4' energy: -40.040
flat angles C4'-P-C4' energy: -32.833
flat angles P-C4'-P energy: -29.647
tors. eta vs tors. theta energy: -47.276
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: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -440.608345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.608345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.608345 (E_RNA)
where:
Base-Base interactions energy: -287.278
where: short stacking energy: -139.331
Base-Backbone interact. energy: -0.045
local terms energy: -153.285329
where:
bonds (distance) C4'-P energy: -41.172
bonds (distance) P-C4' energy: -42.241
flat angles C4'-P-C4' energy: -23.725
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -30.052
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: 10
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -273.207086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.207086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.207086 (E_RNA)
where:
Base-Base interactions energy: -132.184
where: short stacking energy: -87.693
Base-Backbone interact. energy: -0.640
local terms energy: -140.382665
where:
bonds (distance) C4'-P energy: -39.241
bonds (distance) P-C4' energy: -39.845
flat angles C4'-P-C4' energy: -48.187
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: 1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -190.244843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.244843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.244843 (E_RNA)
where:
Base-Base interactions energy: -71.644
where: short stacking energy: -66.716
Base-Backbone interact. energy: -2.373
local terms energy: -116.227599
where:
bonds (distance) C4'-P energy: -40.733
bonds (distance) P-C4' energy: -42.201
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -17.629
tors. eta vs tors. theta energy: 9.921
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: 6
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -770.381149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.381149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.381149 (E_RNA)
where:
Base-Base interactions energy: -527.421
where: short stacking energy: -224.743
Base-Backbone interact. energy: -2.516
local terms energy: -240.444219
where:
bonds (distance) C4'-P energy: -43.884
bonds (distance) P-C4' energy: -45.825
flat angles C4'-P-C4' energy: -52.316
flat angles P-C4'-P energy: -27.257
tors. eta vs tors. theta energy: -71.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -734.798589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.798589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.798589 (E_RNA)
where:
Base-Base interactions energy: -513.266
where: short stacking energy: -211.350
Base-Backbone interact. energy: 0.352
local terms energy: -221.885539
where:
bonds (distance) C4'-P energy: -43.655
bonds (distance) P-C4' energy: -44.304
flat angles C4'-P-C4' energy: -43.438
flat angles P-C4'-P energy: -32.067
tors. eta vs tors. theta energy: -58.421
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: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -739.421597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.421597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.421597 (E_RNA)
where:
Base-Base interactions energy: -504.762
where: short stacking energy: -222.835
Base-Backbone interact. energy: -1.896
local terms energy: -232.764097
where:
bonds (distance) C4'-P energy: -48.518
bonds (distance) P-C4' energy: -50.741
flat angles C4'-P-C4' energy: -43.452
flat angles P-C4'-P energy: -27.090
tors. eta vs tors. theta energy: -62.963
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: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -689.260726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.260726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.260726 (E_RNA)
where:
Base-Base interactions energy: -488.534
where: short stacking energy: -216.362
Base-Backbone interact. energy: 0.715
local terms energy: -201.441119
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -40.426
flat angles C4'-P-C4' energy: -43.555
flat angles P-C4'-P energy: -29.091
tors. eta vs tors. theta energy: -54.985
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: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -610.167594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.167594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.167594 (E_RNA)
where:
Base-Base interactions energy: -409.350
where: short stacking energy: -184.412
Base-Backbone interact. energy: -1.327
local terms energy: -199.490193
where:
bonds (distance) C4'-P energy: -39.527
bonds (distance) P-C4' energy: -40.907
flat angles C4'-P-C4' energy: -39.471
flat angles P-C4'-P energy: -29.160
tors. eta vs tors. theta energy: -50.426
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: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -559.387872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.387872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.387872 (E_RNA)
where:
Base-Base interactions energy: -370.637
where: short stacking energy: -161.419
Base-Backbone interact. energy: -0.533
local terms energy: -188.217834
where:
bonds (distance) C4'-P energy: -40.692
bonds (distance) P-C4' energy: -39.332
flat angles C4'-P-C4' energy: -39.456
flat angles P-C4'-P energy: -27.324
tors. eta vs tors. theta energy: -41.413
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: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -471.628448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.628448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.628448 (E_RNA)
where:
Base-Base interactions energy: -290.485
where: short stacking energy: -145.498
Base-Backbone interact. energy: 0.208
local terms energy: -181.352037
where:
bonds (distance) C4'-P energy: -43.261
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -48.717
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -32.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -494.515653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.515653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.515653 (E_RNA)
where:
Base-Base interactions energy: -307.016
where: short stacking energy: -139.715
Base-Backbone interact. energy: -0.328
local terms energy: -187.171284
where:
bonds (distance) C4'-P energy: -43.422
bonds (distance) P-C4' energy: -39.293
flat angles C4'-P-C4' energy: -37.452
flat angles P-C4'-P energy: -31.453
tors. eta vs tors. theta energy: -35.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -275.116021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.116021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.116021 (E_RNA)
where:
Base-Base interactions energy: -159.510
where: short stacking energy: -83.096
Base-Backbone interact. energy: 0.359
local terms energy: -115.964988
where:
bonds (distance) C4'-P energy: -39.290
bonds (distance) P-C4' energy: -33.055
flat angles C4'-P-C4' energy: -31.564
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -219.101911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.101911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.101911 (E_RNA)
where:
Base-Base interactions energy: -101.526
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.801
local terms energy: -116.774971
where:
bonds (distance) C4'-P energy: -37.062
bonds (distance) P-C4' energy: -26.084
flat angles C4'-P-C4' energy: -38.158
flat angles P-C4'-P energy: -17.550
tors. eta vs tors. theta energy: 2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -757.545495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.545495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.545495 (E_RNA)
where:
Base-Base interactions energy: -515.835
where: short stacking energy: -218.187
Base-Backbone interact. energy: -1.001
local terms energy: -240.709242
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -47.818
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -32.513
tors. eta vs tors. theta energy: -64.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -750.832244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.832244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.832244 (E_RNA)
where:
Base-Base interactions energy: -529.937
where: short stacking energy: -224.197
Base-Backbone interact. energy: -1.684
local terms energy: -219.211287
where:
bonds (distance) C4'-P energy: -45.044
bonds (distance) P-C4' energy: -32.699
flat angles C4'-P-C4' energy: -50.023
flat angles P-C4'-P energy: -30.939
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: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -713.202906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.202906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.202906 (E_RNA)
where:
Base-Base interactions energy: -488.633
where: short stacking energy: -200.309
Base-Backbone interact. energy: -1.151
local terms energy: -223.418044
where:
bonds (distance) C4'-P energy: -40.270
bonds (distance) P-C4' energy: -46.525
flat angles C4'-P-C4' energy: -49.669
flat angles P-C4'-P energy: -28.269
tors. eta vs tors. theta energy: -58.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -685.142438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.142438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.142438 (E_RNA)
where:
Base-Base interactions energy: -462.532
where: short stacking energy: -206.590
Base-Backbone interact. energy: 0.026
local terms energy: -222.636677
where:
bonds (distance) C4'-P energy: -39.276
bonds (distance) P-C4' energy: -38.372
flat angles C4'-P-C4' energy: -45.535
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -63.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -601.513974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.513974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.513974 (E_RNA)
where:
Base-Base interactions energy: -407.467
where: short stacking energy: -184.487
Base-Backbone interact. energy: -1.307
local terms energy: -192.740710
where:
bonds (distance) C4'-P energy: -44.790
bonds (distance) P-C4' energy: -31.421
flat angles C4'-P-C4' energy: -40.668
flat angles P-C4'-P energy: -29.609
tors. eta vs tors. theta energy: -46.252
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: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -551.160450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.160450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.160450 (E_RNA)
where:
Base-Base interactions energy: -361.885
where: short stacking energy: -161.225
Base-Backbone interact. energy: -1.301
local terms energy: -187.974621
where:
bonds (distance) C4'-P energy: -39.331
bonds (distance) P-C4' energy: -45.801
flat angles C4'-P-C4' energy: -41.282
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -40.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -423.227899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.227899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.227899 (E_RNA)
where:
Base-Base interactions energy: -239.357
where: short stacking energy: -119.688
Base-Backbone interact. energy: -0.765
local terms energy: -183.106761
where:
bonds (distance) C4'-P energy: -43.653
bonds (distance) P-C4' energy: -46.030
flat angles C4'-P-C4' energy: -43.712
flat angles P-C4'-P energy: -26.464
tors. eta vs tors. theta energy: -23.248
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: 8, replica: 7
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -493.039151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.039151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.039151 (E_RNA)
where:
Base-Base interactions energy: -325.814
where: short stacking energy: -152.350
Base-Backbone interact. energy: -2.344
local terms energy: -164.880644
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -40.295
flat angles P-C4'-P energy: -23.327
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: 9, replica: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -299.600428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.600428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.600428 (E_RNA)
where:
Base-Base interactions energy: -147.626
where: short stacking energy: -85.837
Base-Backbone interact. energy: -1.029
local terms energy: -150.945596
where:
bonds (distance) C4'-P energy: -42.438
bonds (distance) P-C4' energy: -36.116
flat angles C4'-P-C4' energy: -33.664
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -14.711
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: 9
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -242.156507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.156507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.156507 (E_RNA)
where:
Base-Base interactions energy: -105.713
where: short stacking energy: -70.293
Base-Backbone interact. energy: -1.767
local terms energy: -134.676010
where:
bonds (distance) C4'-P energy: -27.105
bonds (distance) P-C4' energy: -39.777
flat angles C4'-P-C4' energy: -37.220
flat angles P-C4'-P energy: -25.627
tors. eta vs tors. theta energy: -4.947
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: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -759.147983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.147983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.147983 (E_RNA)
where:
Base-Base interactions energy: -527.553
where: short stacking energy: -222.970
Base-Backbone interact. energy: -1.265
local terms energy: -230.329954
where:
bonds (distance) C4'-P energy: -46.857
bonds (distance) P-C4' energy: -45.176
flat angles C4'-P-C4' energy: -46.438
flat angles P-C4'-P energy: -29.807
tors. eta vs tors. theta energy: -62.053
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: 2, replica: 4
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -744.872645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.872645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.872645 (E_RNA)
where:
Base-Base interactions energy: -524.876
where: short stacking energy: -216.698
Base-Backbone interact. energy: 1.024
local terms energy: -221.020680
where:
bonds (distance) C4'-P energy: -40.214
bonds (distance) P-C4' energy: -39.814
flat angles C4'-P-C4' energy: -52.263
flat angles P-C4'-P energy: -33.305
tors. eta vs tors. theta energy: -55.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -673.624175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.624175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.624175 (E_RNA)
where:
Base-Base interactions energy: -468.495
where: short stacking energy: -212.101
Base-Backbone interact. energy: -0.141
local terms energy: -204.988651
where:
bonds (distance) C4'-P energy: -44.531
bonds (distance) P-C4' energy: -33.896
flat angles C4'-P-C4' energy: -41.473
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: -55.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -706.746114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.746114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.746114 (E_RNA)
where:
Base-Base interactions energy: -471.458
where: short stacking energy: -200.217
Base-Backbone interact. energy: -0.819
local terms energy: -234.469425
where:
bonds (distance) C4'-P energy: -48.653
bonds (distance) P-C4' energy: -43.952
flat angles C4'-P-C4' energy: -44.680
flat angles P-C4'-P energy: -37.972
tors. eta vs tors. theta energy: -59.212
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: 456
Temperature: 1.100000
Total energy: -573.320358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.320358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.320358 (E_RNA)
where:
Base-Base interactions energy: -370.548
where: short stacking energy: -173.578
Base-Backbone interact. energy: -0.888
local terms energy: -201.883949
where:
bonds (distance) C4'-P energy: -46.884
bonds (distance) P-C4' energy: -38.269
flat angles C4'-P-C4' energy: -41.361
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -45.392
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: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -579.820014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.820014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.820014 (E_RNA)
where:
Base-Base interactions energy: -391.694
where: short stacking energy: -192.367
Base-Backbone interact. energy: 1.126
local terms energy: -189.252537
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -40.538
flat angles C4'-P-C4' energy: -39.197
flat angles P-C4'-P energy: -31.599
tors. eta vs tors. theta energy: -50.241
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: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -515.672517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.672517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.672517 (E_RNA)
where:
Base-Base interactions energy: -337.166
where: short stacking energy: -144.129
Base-Backbone interact. energy: 0.376
local terms energy: -178.882639
where:
bonds (distance) C4'-P energy: -40.547
bonds (distance) P-C4' energy: -40.336
flat angles C4'-P-C4' energy: -37.964
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -35.293
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: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -420.503865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.503865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.503865 (E_RNA)
where:
Base-Base interactions energy: -267.386
where: short stacking energy: -128.512
Base-Backbone interact. energy: 0.272
local terms energy: -153.389602
where:
bonds (distance) C4'-P energy: -37.272
bonds (distance) P-C4' energy: -36.094
flat angles C4'-P-C4' energy: -39.704
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -26.162
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: 9, replica: 10
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -333.840741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.840741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.840741 (E_RNA)
where:
Base-Base interactions energy: -189.209
where: short stacking energy: -94.371
Base-Backbone interact. energy: -0.359
local terms energy: -144.272173
where:
bonds (distance) C4'-P energy: -30.787
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -216.530904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.530904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.530904 (E_RNA)
where:
Base-Base interactions energy: -98.889
where: short stacking energy: -69.482
Base-Backbone interact. energy: -1.079
local terms energy: -116.563633
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -26.973
flat angles C4'-P-C4' energy: -23.551
flat angles P-C4'-P energy: -23.334
tors. eta vs tors. theta energy: -4.048
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: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -768.758593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.758593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.758593 (E_RNA)
where:
Base-Base interactions energy: -524.238
where: short stacking energy: -223.437
Base-Backbone interact. energy: -2.474
local terms energy: -242.046478
where:
bonds (distance) C4'-P energy: -44.911
bonds (distance) P-C4' energy: -41.629
flat angles C4'-P-C4' energy: -52.724
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -70.960
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: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -762.315555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.315555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.315555 (E_RNA)
where:
Base-Base interactions energy: -535.761
where: short stacking energy: -223.613
Base-Backbone interact. energy: -1.655
local terms energy: -224.899132
where:
bonds (distance) C4'-P energy: -44.724
bonds (distance) P-C4' energy: -45.251
flat angles C4'-P-C4' energy: -44.995
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -57.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -677.105817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.105817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.105817 (E_RNA)
where:
Base-Base interactions energy: -463.327
where: short stacking energy: -207.586
Base-Backbone interact. energy: -0.321
local terms energy: -213.457188
where:
bonds (distance) C4'-P energy: -42.366
bonds (distance) P-C4' energy: -43.631
flat angles C4'-P-C4' energy: -49.570
flat angles P-C4'-P energy: -25.569
tors. eta vs tors. theta energy: -52.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -703.185145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.185145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.185145 (E_RNA)
where:
Base-Base interactions energy: -495.162
where: short stacking energy: -222.868
Base-Backbone interact. energy: 0.246
local terms energy: -208.269590
where:
bonds (distance) C4'-P energy: -31.698
bonds (distance) P-C4' energy: -38.495
flat angles C4'-P-C4' energy: -49.466
flat angles P-C4'-P energy: -25.272
tors. eta vs tors. theta energy: -63.339
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: 3
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -570.551466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.551466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.551466 (E_RNA)
where:
Base-Base interactions energy: -374.477
where: short stacking energy: -164.423
Base-Backbone interact. energy: 0.082
local terms energy: -196.156263
where:
bonds (distance) C4'-P energy: -36.425
bonds (distance) P-C4' energy: -37.537
flat angles C4'-P-C4' energy: -40.071
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -46.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -551.188626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.188626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.188626 (E_RNA)
where:
Base-Base interactions energy: -355.563
where: short stacking energy: -168.842
Base-Backbone interact. energy: -0.763
local terms energy: -194.862893
where:
bonds (distance) C4'-P energy: -45.339
bonds (distance) P-C4' energy: -43.446
flat angles C4'-P-C4' energy: -35.165
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -45.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -556.959292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.959292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.959292 (E_RNA)
where:
Base-Base interactions energy: -365.565
where: short stacking energy: -172.860
Base-Backbone interact. energy: -1.310
local terms energy: -190.084327
where:
bonds (distance) C4'-P energy: -31.607
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -46.482
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: -49.985
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: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -429.834892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.834892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.834892 (E_RNA)
where:
Base-Base interactions energy: -285.093
where: short stacking energy: -133.933
Base-Backbone interact. energy: -1.921
local terms energy: -142.820583
where:
bonds (distance) C4'-P energy: -36.847
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -40.588
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -25.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -315.125779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.125779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.125779 (E_RNA)
where:
Base-Base interactions energy: -181.152
where: short stacking energy: -95.372
Base-Backbone interact. energy: -0.425
local terms energy: -133.548474
where:
bonds (distance) C4'-P energy: -37.861
bonds (distance) P-C4' energy: -30.068
flat angles C4'-P-C4' energy: -30.894
flat angles P-C4'-P energy: -27.466
tors. eta vs tors. theta energy: -7.260
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: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -207.562238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.562238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.562238 (E_RNA)
where:
Base-Base interactions energy: -82.467
where: short stacking energy: -63.542
Base-Backbone interact. energy: -0.869
local terms energy: -124.226529
where:
bonds (distance) C4'-P energy: -42.690
bonds (distance) P-C4' energy: -32.565
flat angles C4'-P-C4' energy: -30.713
flat angles P-C4'-P energy: -22.260
tors. eta vs tors. theta energy: 4.002
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: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -779.408911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.408911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.408911 (E_RNA)
where:
Base-Base interactions energy: -539.439
where: short stacking energy: -221.851
Base-Backbone interact. energy: -0.166
local terms energy: -239.804180
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -44.616
flat angles C4'-P-C4' energy: -44.082
flat angles P-C4'-P energy: -35.047
tors. eta vs tors. theta energy: -70.955
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: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -750.495807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.495807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.495807 (E_RNA)
where:
Base-Base interactions energy: -516.548
where: short stacking energy: -231.844
Base-Backbone interact. energy: -1.251
local terms energy: -232.696191
where:
bonds (distance) C4'-P energy: -48.774
bonds (distance) P-C4' energy: -46.538
flat angles C4'-P-C4' energy: -44.558
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -63.910
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: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -716.181547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.181547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.181547 (E_RNA)
where:
Base-Base interactions energy: -488.401
where: short stacking energy: -216.745
Base-Backbone interact. energy: 1.293
local terms energy: -229.074152
where:
bonds (distance) C4'-P energy: -39.028
bonds (distance) P-C4' energy: -45.382
flat angles C4'-P-C4' energy: -46.555
flat angles P-C4'-P energy: -34.239
tors. eta vs tors. theta energy: -63.870
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: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -675.652200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.652200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.652200 (E_RNA)
where:
Base-Base interactions energy: -447.844
where: short stacking energy: -197.532
Base-Backbone interact. energy: -1.494
local terms energy: -226.314189
where:
bonds (distance) C4'-P energy: -37.124
bonds (distance) P-C4' energy: -45.894
flat angles C4'-P-C4' energy: -46.581
flat angles P-C4'-P energy: -33.302
tors. eta vs tors. theta energy: -63.414
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: 7
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -565.103434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.103434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.103434 (E_RNA)
where:
Base-Base interactions energy: -380.559
where: short stacking energy: -174.423
Base-Backbone interact. energy: -1.055
local terms energy: -183.490011
where:
bonds (distance) C4'-P energy: -35.856
bonds (distance) P-C4' energy: -40.735
flat angles C4'-P-C4' energy: -42.631
flat angles P-C4'-P energy: -15.761
tors. eta vs tors. theta energy: -48.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -567.699378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.699378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.699378 (E_RNA)
where:
Base-Base interactions energy: -374.120
where: short stacking energy: -158.299
Base-Backbone interact. energy: -0.322
local terms energy: -193.257027
where:
bonds (distance) C4'-P energy: -38.707
bonds (distance) P-C4' energy: -46.200
flat angles C4'-P-C4' energy: -43.563
flat angles P-C4'-P energy: -25.830
tors. eta vs tors. theta energy: -38.957
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: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -550.982783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.982783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.982783 (E_RNA)
where:
Base-Base interactions energy: -366.116
where: short stacking energy: -159.181
Base-Backbone interact. energy: 0.399
local terms energy: -185.266213
where:
bonds (distance) C4'-P energy: -28.793
bonds (distance) P-C4' energy: -40.787
flat angles C4'-P-C4' energy: -38.096
flat angles P-C4'-P energy: -30.006
tors. eta vs tors. theta energy: -47.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -456.569626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.569626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.569626 (E_RNA)
where:
Base-Base interactions energy: -273.476
where: short stacking energy: -120.275
Base-Backbone interact. energy: -1.468
local terms energy: -181.626243
where:
bonds (distance) C4'-P energy: -41.133
bonds (distance) P-C4' energy: -39.957
flat angles C4'-P-C4' energy: -46.070
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -34.117
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: 9, replica: 10
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -318.516329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.516329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.516329 (E_RNA)
where:
Base-Base interactions energy: -183.932
where: short stacking energy: -83.863
Base-Backbone interact. energy: 0.454
local terms energy: -135.038698
where:
bonds (distance) C4'-P energy: -38.631
bonds (distance) P-C4' energy: -39.727
flat angles C4'-P-C4' energy: -24.363
flat angles P-C4'-P energy: -25.297
tors. eta vs tors. theta energy: -7.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -214.282102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.282102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.282102 (E_RNA)
where:
Base-Base interactions energy: -77.260
where: short stacking energy: -75.113
Base-Backbone interact. energy: -0.529
local terms energy: -136.493312
where:
bonds (distance) C4'-P energy: -43.102
bonds (distance) P-C4' energy: -39.500
flat angles C4'-P-C4' energy: -33.389
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -2.566
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: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -783.131125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.131125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.131125 (E_RNA)
where:
Base-Base interactions energy: -543.921
where: short stacking energy: -213.356
Base-Backbone interact. energy: -0.802
local terms energy: -238.408030
where:
bonds (distance) C4'-P energy: -41.401
bonds (distance) P-C4' energy: -40.448
flat angles C4'-P-C4' energy: -53.029
flat angles P-C4'-P energy: -36.974
tors. eta vs tors. theta energy: -66.556
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: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -765.966164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.966164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.966164 (E_RNA)
where:
Base-Base interactions energy: -541.750
where: short stacking energy: -218.296
Base-Backbone interact. energy: -0.515
local terms energy: -223.700969
where:
bonds (distance) C4'-P energy: -49.583
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -41.572
flat angles P-C4'-P energy: -30.858
tors. eta vs tors. theta energy: -60.237
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: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -715.307750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.307750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.307750 (E_RNA)
where:
Base-Base interactions energy: -478.104
where: short stacking energy: -203.426
Base-Backbone interact. energy: -0.668
local terms energy: -236.535519
where:
bonds (distance) C4'-P energy: -48.822
bonds (distance) P-C4' energy: -46.148
flat angles C4'-P-C4' energy: -44.839
flat angles P-C4'-P energy: -31.923
tors. eta vs tors. theta energy: -64.804
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: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -683.406801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.406801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.406801 (E_RNA)
where:
Base-Base interactions energy: -467.701
where: short stacking energy: -201.770
Base-Backbone interact. energy: -0.296
local terms energy: -215.409359
where:
bonds (distance) C4'-P energy: -41.615
bonds (distance) P-C4' energy: -34.900
flat angles C4'-P-C4' energy: -47.099
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -56.435
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: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -578.479520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.479520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.479520 (E_RNA)
where:
Base-Base interactions energy: -379.364
where: short stacking energy: -172.765
Base-Backbone interact. energy: -0.260
local terms energy: -198.855446
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -47.375
flat angles P-C4'-P energy: -30.668
tors. eta vs tors. theta energy: -37.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -586.409300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.409300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.409300 (E_RNA)
where:
Base-Base interactions energy: -383.286
where: short stacking energy: -175.184
Base-Backbone interact. energy: -0.213
local terms energy: -202.909834
where:
bonds (distance) C4'-P energy: -40.199
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -42.570
flat angles P-C4'-P energy: -28.197
tors. eta vs tors. theta energy: -51.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -552.242280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.242280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.242280 (E_RNA)
where:
Base-Base interactions energy: -374.011
where: short stacking energy: -162.044
Base-Backbone interact. energy: -0.579
local terms energy: -177.652394
where:
bonds (distance) C4'-P energy: -35.934
bonds (distance) P-C4' energy: -39.460
flat angles C4'-P-C4' energy: -42.467
flat angles P-C4'-P energy: -18.972
tors. eta vs tors. theta energy: -40.820
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: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -450.353891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.353891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.353891 (E_RNA)
where:
Base-Base interactions energy: -278.988
where: short stacking energy: -127.076
Base-Backbone interact. energy: 4.115
local terms energy: -175.481130
where:
bonds (distance) C4'-P energy: -36.885
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -37.473
flat angles P-C4'-P energy: -25.738
tors. eta vs tors. theta energy: -30.271
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: 9, replica: 10
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -276.973975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.973975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.973975 (E_RNA)
where:
Base-Base interactions energy: -140.759
where: short stacking energy: -86.459
Base-Backbone interact. energy: -1.093
local terms energy: -135.122130
where:
bonds (distance) C4'-P energy: -33.844
bonds (distance) P-C4' energy: -39.893
flat angles C4'-P-C4' energy: -35.658
flat angles P-C4'-P energy: -16.828
tors. eta vs tors. theta energy: -8.899
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: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -205.716802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.716802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.716802 (E_RNA)
where:
Base-Base interactions energy: -78.235
where: short stacking energy: -65.237
Base-Backbone interact. energy: -1.392
local terms energy: -126.089028
where:
bonds (distance) C4'-P energy: -32.221
bonds (distance) P-C4' energy: -39.977
flat angles C4'-P-C4' energy: -33.509
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -1.023
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: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -788.313927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.313927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.313927 (E_RNA)
where:
Base-Base interactions energy: -548.880
where: short stacking energy: -228.588
Base-Backbone interact. energy: -0.594
local terms energy: -238.840097
where:
bonds (distance) C4'-P energy: -37.708
bonds (distance) P-C4' energy: -42.544
flat angles C4'-P-C4' energy: -46.513
flat angles P-C4'-P energy: -37.950
tors. eta vs tors. theta energy: -74.125
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: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -750.839397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.839397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.839397 (E_RNA)
where:
Base-Base interactions energy: -519.138
where: short stacking energy: -226.410
Base-Backbone interact. energy: -2.577
local terms energy: -229.124998
where:
bonds (distance) C4'-P energy: -41.194
bonds (distance) P-C4' energy: -45.172
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -34.441
tors. eta vs tors. theta energy: -58.071
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: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -732.935029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.935029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.935029 (E_RNA)
where:
Base-Base interactions energy: -505.626
where: short stacking energy: -221.287
Base-Backbone interact. energy: -0.397
local terms energy: -226.911470
where:
bonds (distance) C4'-P energy: -40.240
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -46.667
flat angles P-C4'-P energy: -29.349
tors. eta vs tors. theta energy: -63.861
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: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -656.314961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.314961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.314961 (E_RNA)
where:
Base-Base interactions energy: -447.817
where: short stacking energy: -191.793
Base-Backbone interact. energy: -0.520
local terms energy: -207.977885
where:
bonds (distance) C4'-P energy: -34.026
bonds (distance) P-C4' energy: -47.591
flat angles C4'-P-C4' energy: -44.889
flat angles P-C4'-P energy: -34.624
tors. eta vs tors. theta energy: -46.848
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: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -615.648180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.648180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.648180 (E_RNA)
where:
Base-Base interactions energy: -410.838
where: short stacking energy: -186.846
Base-Backbone interact. energy: -0.451
local terms energy: -204.359125
where:
bonds (distance) C4'-P energy: -35.211
bonds (distance) P-C4' energy: -39.224
flat angles C4'-P-C4' energy: -45.531
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -53.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -566.776894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.776894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.776894 (E_RNA)
where:
Base-Base interactions energy: -375.228
where: short stacking energy: -169.355
Base-Backbone interact. energy: -0.384
local terms energy: -191.164977
where:
bonds (distance) C4'-P energy: -43.576
bonds (distance) P-C4' energy: -47.975
flat angles C4'-P-C4' energy: -42.551
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -32.574
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: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -555.889052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.889052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.889052 (E_RNA)
where:
Base-Base interactions energy: -359.649
where: short stacking energy: -147.230
Base-Backbone interact. energy: -1.690
local terms energy: -194.550097
where:
bonds (distance) C4'-P energy: -40.785
bonds (distance) P-C4' energy: -43.937
flat angles C4'-P-C4' energy: -41.905
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -39.819
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: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -408.758158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.758158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.758158 (E_RNA)
where:
Base-Base interactions energy: -249.566
where: short stacking energy: -121.839
Base-Backbone interact. energy: -0.549
local terms energy: -158.642794
where:
bonds (distance) C4'-P energy: -28.628
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -41.903
flat angles P-C4'-P energy: -28.994
tors. eta vs tors. theta energy: -21.624
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: 9, replica: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -251.436750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.436750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.436750 (E_RNA)
where:
Base-Base interactions energy: -124.818
where: short stacking energy: -64.673
Base-Backbone interact. energy: 1.165
local terms energy: -127.783845
where:
bonds (distance) C4'-P energy: -38.101
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -35.367
flat angles P-C4'-P energy: -16.902
tors. eta vs tors. theta energy: 1.626
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: 10, replica: 9
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -201.067232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.067232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.067232 (E_RNA)
where:
Base-Base interactions energy: -82.605
where: short stacking energy: -64.766
Base-Backbone interact. energy: -0.520
local terms energy: -117.942143
where:
bonds (distance) C4'-P energy: -35.980
bonds (distance) P-C4' energy: -36.045
flat angles C4'-P-C4' energy: -30.656
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: 3.403
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: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -752.967299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.967299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.967299 (E_RNA)
where:
Base-Base interactions energy: -515.629
where: short stacking energy: -219.939
Base-Backbone interact. energy: -0.810
local terms energy: -236.528932
where:
bonds (distance) C4'-P energy: -47.066
bonds (distance) P-C4' energy: -43.312
flat angles C4'-P-C4' energy: -43.231
flat angles P-C4'-P energy: -36.352
tors. eta vs tors. theta energy: -66.568
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: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -736.161080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.161080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.161080 (E_RNA)
where:
Base-Base interactions energy: -490.470
where: short stacking energy: -211.177
Base-Backbone interact. energy: -0.735
local terms energy: -244.956428
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -37.568
flat angles C4'-P-C4' energy: -50.847
flat angles P-C4'-P energy: -35.162
tors. eta vs tors. theta energy: -70.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -744.380617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.380617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.380617 (E_RNA)
where:
Base-Base interactions energy: -522.566
where: short stacking energy: -219.734
Base-Backbone interact. energy: -0.007
local terms energy: -221.806755
where:
bonds (distance) C4'-P energy: -39.610
bonds (distance) P-C4' energy: -48.291
flat angles C4'-P-C4' energy: -40.362
flat angles P-C4'-P energy: -32.257
tors. eta vs tors. theta energy: -61.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -636.760339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.760339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.760339 (E_RNA)
where:
Base-Base interactions energy: -435.774
where: short stacking energy: -206.826
Base-Backbone interact. energy: 3.937
local terms energy: -204.924272
where:
bonds (distance) C4'-P energy: -32.659
bonds (distance) P-C4' energy: -39.708
flat angles C4'-P-C4' energy: -46.440
flat angles P-C4'-P energy: -32.080
tors. eta vs tors. theta energy: -54.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -659.983376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.983376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.983376 (E_RNA)
where:
Base-Base interactions energy: -461.468
where: short stacking energy: -209.762
Base-Backbone interact. energy: -1.895
local terms energy: -196.620855
where:
bonds (distance) C4'-P energy: -32.115
bonds (distance) P-C4' energy: -32.839
flat angles C4'-P-C4' energy: -49.882
flat angles P-C4'-P energy: -24.298
tors. eta vs tors. theta energy: -57.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -530.776399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.776399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.776399 (E_RNA)
where:
Base-Base interactions energy: -337.691
where: short stacking energy: -155.100
Base-Backbone interact. energy: -0.028
local terms energy: -193.057846
where:
bonds (distance) C4'-P energy: -41.298
bonds (distance) P-C4' energy: -38.701
flat angles C4'-P-C4' energy: -47.143
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -44.120
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: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -536.571075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.571075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.571075 (E_RNA)
where:
Base-Base interactions energy: -355.498
where: short stacking energy: -160.253
Base-Backbone interact. energy: -1.663
local terms energy: -179.410068
where:
bonds (distance) C4'-P energy: -44.592
bonds (distance) P-C4' energy: -36.010
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -24.954
tors. eta vs tors. theta energy: -41.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -440.317108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.317108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.317108 (E_RNA)
where:
Base-Base interactions energy: -285.399
where: short stacking energy: -134.432
Base-Backbone interact. energy: -0.937
local terms energy: -153.981470
where:
bonds (distance) C4'-P energy: -27.254
bonds (distance) P-C4' energy: -31.885
flat angles C4'-P-C4' energy: -39.808
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -33.610
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: 461
Temperature: 1.300000
Total energy: -269.618657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.618657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.618657 (E_RNA)
where:
Base-Base interactions energy: -116.721
where: short stacking energy: -84.443
Base-Backbone interact. energy: -0.670
local terms energy: -152.228583
where:
bonds (distance) C4'-P energy: -37.628
bonds (distance) P-C4' energy: -41.292
flat angles C4'-P-C4' energy: -34.801
flat angles P-C4'-P energy: -25.716
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -194.490869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.490869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.490869 (E_RNA)
where:
Base-Base interactions energy: -88.628
where: short stacking energy: -69.417
Base-Backbone interact. energy: -0.277
local terms energy: -105.585472
where:
bonds (distance) C4'-P energy: -30.439
bonds (distance) P-C4' energy: -32.084
flat angles C4'-P-C4' energy: -35.965
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -773.813036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.813036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.813036 (E_RNA)
where:
Base-Base interactions energy: -531.142
where: short stacking energy: -220.003
Base-Backbone interact. energy: 0.065
local terms energy: -242.736793
where:
bonds (distance) C4'-P energy: -47.553
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -47.498
flat angles P-C4'-P energy: -36.810
tors. eta vs tors. theta energy: -67.193
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: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -744.756535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.756535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.756535 (E_RNA)
where:
Base-Base interactions energy: -508.328
where: short stacking energy: -220.109
Base-Backbone interact. energy: -0.702
local terms energy: -235.726501
where:
bonds (distance) C4'-P energy: -36.915
bonds (distance) P-C4' energy: -46.061
flat angles C4'-P-C4' energy: -51.249
flat angles P-C4'-P energy: -37.579
tors. eta vs tors. theta energy: -63.923
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: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -729.932006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.932006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.932006 (E_RNA)
where:
Base-Base interactions energy: -524.333
where: short stacking energy: -203.836
Base-Backbone interact. energy: -2.012
local terms energy: -203.587515
where:
bonds (distance) C4'-P energy: -39.912
bonds (distance) P-C4' energy: -40.404
flat angles C4'-P-C4' energy: -45.083
flat angles P-C4'-P energy: -24.111
tors. eta vs tors. theta energy: -54.078
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: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -646.473414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.473414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.473414 (E_RNA)
where:
Base-Base interactions energy: -420.781
where: short stacking energy: -184.067
Base-Backbone interact. energy: 0.012
local terms energy: -225.704256
where:
bonds (distance) C4'-P energy: -43.368
bonds (distance) P-C4' energy: -36.070
flat angles C4'-P-C4' energy: -49.673
flat angles P-C4'-P energy: -32.459
tors. eta vs tors. theta energy: -64.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -659.180982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.180982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.180982 (E_RNA)
where:
Base-Base interactions energy: -443.005
where: short stacking energy: -200.323
Base-Backbone interact. energy: -0.340
local terms energy: -215.836059
where:
bonds (distance) C4'-P energy: -37.661
bonds (distance) P-C4' energy: -44.266
flat angles C4'-P-C4' energy: -45.611
flat angles P-C4'-P energy: -24.218
tors. eta vs tors. theta energy: -64.079
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: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -533.935816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.935816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.935816 (E_RNA)
where:
Base-Base interactions energy: -358.842
where: short stacking energy: -163.309
Base-Backbone interact. energy: 1.860
local terms energy: -176.953456
where:
bonds (distance) C4'-P energy: -33.665
bonds (distance) P-C4' energy: -33.904
flat angles C4'-P-C4' energy: -40.513
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -43.570
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: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -530.317867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.317867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.317867 (E_RNA)
where:
Base-Base interactions energy: -350.850
where: short stacking energy: -159.666
Base-Backbone interact. energy: -0.526
local terms energy: -178.942451
where:
bonds (distance) C4'-P energy: -39.972
bonds (distance) P-C4' energy: -40.706
flat angles C4'-P-C4' energy: -41.740
flat angles P-C4'-P energy: -24.901
tors. eta vs tors. theta energy: -31.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -423.018547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.018547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.018547 (E_RNA)
where:
Base-Base interactions energy: -267.376
where: short stacking energy: -112.825
Base-Backbone interact. energy: 0.803
local terms energy: -156.445904
where:
bonds (distance) C4'-P energy: -40.324
bonds (distance) P-C4' energy: -39.157
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -271.279180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.279180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.279180 (E_RNA)
where:
Base-Base interactions energy: -139.560
where: short stacking energy: -75.978
Base-Backbone interact. energy: -0.005
local terms energy: -131.714229
where:
bonds (distance) C4'-P energy: -41.021
bonds (distance) P-C4' energy: -41.849
flat angles C4'-P-C4' energy: -30.475
flat angles P-C4'-P energy: -18.152
tors. eta vs tors. theta energy: -0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -199.787060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.787060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.787060 (E_RNA)
where:
Base-Base interactions energy: -77.532
where: short stacking energy: -77.586
Base-Backbone interact. energy: -0.842
local terms energy: -121.412809
where:
bonds (distance) C4'-P energy: -31.174
bonds (distance) P-C4' energy: -46.480
flat angles C4'-P-C4' energy: -33.203
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -1.393
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: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -754.589651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.589651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.589651 (E_RNA)
where:
Base-Base interactions energy: -524.717
where: short stacking energy: -224.604
Base-Backbone interact. energy: -0.944
local terms energy: -228.928231
where:
bonds (distance) C4'-P energy: -38.941
bonds (distance) P-C4' energy: -45.982
flat angles C4'-P-C4' energy: -46.045
flat angles P-C4'-P energy: -35.127
tors. eta vs tors. theta energy: -62.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -758.546117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.546117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.546117 (E_RNA)
where:
Base-Base interactions energy: -534.597
where: short stacking energy: -203.445
Base-Backbone interact. energy: -2.458
local terms energy: -221.491250
where:
bonds (distance) C4'-P energy: -46.849
bonds (distance) P-C4' energy: -40.183
flat angles C4'-P-C4' energy: -45.540
flat angles P-C4'-P energy: -35.185
tors. eta vs tors. theta energy: -53.734
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: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -711.984053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.984053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.984053 (E_RNA)
where:
Base-Base interactions energy: -480.264
where: short stacking energy: -206.713
Base-Backbone interact. energy: -1.808
local terms energy: -229.912332
where:
bonds (distance) C4'-P energy: -45.638
bonds (distance) P-C4' energy: -43.152
flat angles C4'-P-C4' energy: -50.095
flat angles P-C4'-P energy: -28.465
tors. eta vs tors. theta energy: -62.562
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: 4, replica: 5
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -687.006198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.006198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.006198 (E_RNA)
where:
Base-Base interactions energy: -451.593
where: short stacking energy: -196.630
Base-Backbone interact. energy: -0.145
local terms energy: -235.268105
where:
bonds (distance) C4'-P energy: -46.266
bonds (distance) P-C4' energy: -47.768
flat angles C4'-P-C4' energy: -47.732
flat angles P-C4'-P energy: -31.955
tors. eta vs tors. theta energy: -61.547
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: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -639.879907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.879907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.879907 (E_RNA)
where:
Base-Base interactions energy: -432.395
where: short stacking energy: -193.444
Base-Backbone interact. energy: 0.185
local terms energy: -207.669837
where:
bonds (distance) C4'-P energy: -38.768
bonds (distance) P-C4' energy: -37.044
flat angles C4'-P-C4' energy: -46.840
flat angles P-C4'-P energy: -30.500
tors. eta vs tors. theta energy: -54.517
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: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -541.468338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.468338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.468338 (E_RNA)
where:
Base-Base interactions energy: -353.389
where: short stacking energy: -148.195
Base-Backbone interact. energy: -0.567
local terms energy: -187.512462
where:
bonds (distance) C4'-P energy: -39.941
bonds (distance) P-C4' energy: -49.006
flat angles C4'-P-C4' energy: -42.037
flat angles P-C4'-P energy: -24.330
tors. eta vs tors. theta energy: -32.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -506.850992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.850992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.850992 (E_RNA)
where:
Base-Base interactions energy: -340.933
where: short stacking energy: -154.108
Base-Backbone interact. energy: -0.538
local terms energy: -165.380185
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -35.197
flat angles C4'-P-C4' energy: -33.972
flat angles P-C4'-P energy: -25.477
tors. eta vs tors. theta energy: -32.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -422.779851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.779851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.779851 (E_RNA)
where:
Base-Base interactions energy: -265.155
where: short stacking energy: -123.569
Base-Backbone interact. energy: -0.204
local terms energy: -157.421274
where:
bonds (distance) C4'-P energy: -37.790
bonds (distance) P-C4' energy: -27.147
flat angles C4'-P-C4' energy: -34.038
flat angles P-C4'-P energy: -34.469
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -300.597127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.597127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.597127 (E_RNA)
where:
Base-Base interactions energy: -155.370
where: short stacking energy: -90.377
Base-Backbone interact. energy: -0.635
local terms energy: -144.592853
where:
bonds (distance) C4'-P energy: -37.290
bonds (distance) P-C4' energy: -46.329
flat angles C4'-P-C4' energy: -31.242
flat angles P-C4'-P energy: -16.990
tors. eta vs tors. theta energy: -12.742
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: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -218.030336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.030336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.030336 (E_RNA)
where:
Base-Base interactions energy: -80.093
where: short stacking energy: -73.169
Base-Backbone interact. energy: -0.466
local terms energy: -137.471697
where:
bonds (distance) C4'-P energy: -33.666
bonds (distance) P-C4' energy: -36.835
flat angles C4'-P-C4' energy: -36.092
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -762.941366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.941366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.941366 (E_RNA)
where:
Base-Base interactions energy: -527.107
where: short stacking energy: -224.212
Base-Backbone interact. energy: 0.065
local terms energy: -235.899726
where:
bonds (distance) C4'-P energy: -39.222
bonds (distance) P-C4' energy: -45.405
flat angles C4'-P-C4' energy: -51.143
flat angles P-C4'-P energy: -34.770
tors. eta vs tors. theta energy: -65.360
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: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -734.275417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.275417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.275417 (E_RNA)
where:
Base-Base interactions energy: -528.564
where: short stacking energy: -215.307
Base-Backbone interact. energy: -2.007
local terms energy: -203.704366
where:
bonds (distance) C4'-P energy: -39.240
bonds (distance) P-C4' energy: -39.056
flat angles C4'-P-C4' energy: -45.263
flat angles P-C4'-P energy: -28.625
tors. eta vs tors. theta energy: -51.521
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: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -713.046988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.046988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.046988 (E_RNA)
where:
Base-Base interactions energy: -499.801
where: short stacking energy: -201.797
Base-Backbone interact. energy: -0.264
local terms energy: -212.981629
where:
bonds (distance) C4'-P energy: -32.970
bonds (distance) P-C4' energy: -44.988
flat angles C4'-P-C4' energy: -50.192
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -60.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -711.474100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.474100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.474100 (E_RNA)
where:
Base-Base interactions energy: -478.329
where: short stacking energy: -221.929
Base-Backbone interact. energy: -0.142
local terms energy: -233.003443
where:
bonds (distance) C4'-P energy: -42.168
bonds (distance) P-C4' energy: -38.370
flat angles C4'-P-C4' energy: -48.309
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -68.825
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: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -560.092795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.092795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.092795 (E_RNA)
where:
Base-Base interactions energy: -366.075
where: short stacking energy: -173.031
Base-Backbone interact. energy: -1.001
local terms energy: -193.017355
where:
bonds (distance) C4'-P energy: -34.315
bonds (distance) P-C4' energy: -41.848
flat angles C4'-P-C4' energy: -43.217
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -40.766
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: 6, replica: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -617.650744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.650744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.650744 (E_RNA)
where:
Base-Base interactions energy: -418.575
where: short stacking energy: -193.184
Base-Backbone interact. energy: -0.453
local terms energy: -198.622879
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -39.630
flat angles C4'-P-C4' energy: -46.987
flat angles P-C4'-P energy: -31.108
tors. eta vs tors. theta energy: -47.707
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: 7, replica: 7
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -509.309087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.309087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.309087 (E_RNA)
where:
Base-Base interactions energy: -330.478
where: short stacking energy: -157.427
Base-Backbone interact. energy: 0.984
local terms energy: -179.815120
where:
bonds (distance) C4'-P energy: -33.309
bonds (distance) P-C4' energy: -31.232
flat angles C4'-P-C4' energy: -42.296
flat angles P-C4'-P energy: -29.488
tors. eta vs tors. theta energy: -43.490
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: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -426.702863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.702863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.702863 (E_RNA)
where:
Base-Base interactions energy: -251.477
where: short stacking energy: -110.715
Base-Backbone interact. energy: 0.289
local terms energy: -175.514793
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -37.243
flat angles C4'-P-C4' energy: -40.716
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -290.835694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.835694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.835694 (E_RNA)
where:
Base-Base interactions energy: -142.101
where: short stacking energy: -84.682
Base-Backbone interact. energy: 1.725
local terms energy: -150.459424
where:
bonds (distance) C4'-P energy: -30.955
bonds (distance) P-C4' energy: -38.015
flat angles C4'-P-C4' energy: -35.532
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -13.348
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: 464
Temperature: 1.350000
Total energy: -198.802453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.802453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.802453 (E_RNA)
where:
Base-Base interactions energy: -62.731
where: short stacking energy: -38.840
Base-Backbone interact. energy: 0.792
local terms energy: -136.863608
where:
bonds (distance) C4'-P energy: -45.014
bonds (distance) P-C4' energy: -40.258
flat angles C4'-P-C4' energy: -39.074
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: 8.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -760.494914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.494914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.494914 (E_RNA)
where:
Base-Base interactions energy: -527.452
where: short stacking energy: -232.598
Base-Backbone interact. energy: -1.847
local terms energy: -231.195587
where:
bonds (distance) C4'-P energy: -37.639
bonds (distance) P-C4' energy: -43.301
flat angles C4'-P-C4' energy: -49.570
flat angles P-C4'-P energy: -32.948
tors. eta vs tors. theta energy: -67.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -736.321662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.321662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.321662 (E_RNA)
where:
Base-Base interactions energy: -518.001
where: short stacking energy: -213.633
Base-Backbone interact. energy: 0.118
local terms energy: -218.438681
where:
bonds (distance) C4'-P energy: -36.466
bonds (distance) P-C4' energy: -45.292
flat angles C4'-P-C4' energy: -47.548
flat angles P-C4'-P energy: -35.208
tors. eta vs tors. theta energy: -53.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -709.808691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.808691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.808691 (E_RNA)
where:
Base-Base interactions energy: -480.406
where: short stacking energy: -201.694
Base-Backbone interact. energy: -0.661
local terms energy: -228.742349
where:
bonds (distance) C4'-P energy: -45.485
bonds (distance) P-C4' energy: -45.495
flat angles C4'-P-C4' energy: -50.445
flat angles P-C4'-P energy: -23.218
tors. eta vs tors. theta energy: -64.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -729.047153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.047153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.047153 (E_RNA)
where:
Base-Base interactions energy: -494.955
where: short stacking energy: -227.004
Base-Backbone interact. energy: -1.159
local terms energy: -232.933290
where:
bonds (distance) C4'-P energy: -40.647
bonds (distance) P-C4' energy: -44.192
flat angles C4'-P-C4' energy: -48.095
flat angles P-C4'-P energy: -34.726
tors. eta vs tors. theta energy: -65.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -552.124818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.124818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.124818 (E_RNA)
where:
Base-Base interactions energy: -382.051
where: short stacking energy: -167.575
Base-Backbone interact. energy: -1.500
local terms energy: -168.573969
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -31.333
flat angles C4'-P-C4' energy: -47.045
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -36.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -619.028909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.028909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.028909 (E_RNA)
where:
Base-Base interactions energy: -420.905
where: short stacking energy: -195.551
Base-Backbone interact. energy: -0.115
local terms energy: -198.008791
where:
bonds (distance) C4'-P energy: -38.427
bonds (distance) P-C4' energy: -30.529
flat angles C4'-P-C4' energy: -46.878
flat angles P-C4'-P energy: -27.109
tors. eta vs tors. theta energy: -55.065
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: 7, replica: 7
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -549.500905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.500905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.500905 (E_RNA)
where:
Base-Base interactions energy: -345.649
where: short stacking energy: -166.492
Base-Backbone interact. energy: -1.844
local terms energy: -202.008030
where:
bonds (distance) C4'-P energy: -42.022
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -45.800
flat angles P-C4'-P energy: -32.714
tors. eta vs tors. theta energy: -40.530
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: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -420.061580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.061580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.061580 (E_RNA)
where:
Base-Base interactions energy: -260.325
where: short stacking energy: -133.758
Base-Backbone interact. energy: 1.996
local terms energy: -161.732518
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -37.988
flat angles C4'-P-C4' energy: -39.879
flat angles P-C4'-P energy: -30.723
tors. eta vs tors. theta energy: -24.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -268.061252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.061252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.061252 (E_RNA)
where:
Base-Base interactions energy: -151.706
where: short stacking energy: -94.830
Base-Backbone interact. energy: -0.555
local terms energy: -115.800728
where:
bonds (distance) C4'-P energy: -31.346
bonds (distance) P-C4' energy: -27.267
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -19.220
tors. eta vs tors. theta energy: -6.004
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: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -194.248804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.248804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.248804 (E_RNA)
where:
Base-Base interactions energy: -87.134
where: short stacking energy: -68.492
Base-Backbone interact. energy: -0.494
local terms energy: -106.621033
where:
bonds (distance) C4'-P energy: -37.439
bonds (distance) P-C4' energy: -47.078
flat angles C4'-P-C4' energy: -24.396
flat angles P-C4'-P energy: -2.896
tors. eta vs tors. theta energy: 5.188
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: 1, replica: 6
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -774.343837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.343837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.343837 (E_RNA)
where:
Base-Base interactions energy: -538.602
where: short stacking energy: -228.779
Base-Backbone interact. energy: -1.131
local terms energy: -234.610822
where:
bonds (distance) C4'-P energy: -42.603
bonds (distance) P-C4' energy: -44.810
flat angles C4'-P-C4' energy: -44.432
flat angles P-C4'-P energy: -36.593
tors. eta vs tors. theta energy: -66.173
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: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -762.774502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.774502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.774502 (E_RNA)
where:
Base-Base interactions energy: -538.556
where: short stacking energy: -224.183
Base-Backbone interact. energy: -2.697
local terms energy: -221.521883
where:
bonds (distance) C4'-P energy: -36.287
bonds (distance) P-C4' energy: -42.239
flat angles C4'-P-C4' energy: -47.911
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -61.357
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: 3, replica: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -708.200922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.200922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.200922 (E_RNA)
where:
Base-Base interactions energy: -473.036
where: short stacking energy: -206.847
Base-Backbone interact. energy: -0.237
local terms energy: -234.927974
where:
bonds (distance) C4'-P energy: -46.545
bonds (distance) P-C4' energy: -44.768
flat angles C4'-P-C4' energy: -47.439
flat angles P-C4'-P energy: -31.256
tors. eta vs tors. theta energy: -64.919
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: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -692.138405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.138405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.138405 (E_RNA)
where:
Base-Base interactions energy: -478.047
where: short stacking energy: -208.257
Base-Backbone interact. energy: -0.894
local terms energy: -213.196794
where:
bonds (distance) C4'-P energy: -38.317
bonds (distance) P-C4' energy: -35.961
flat angles C4'-P-C4' energy: -44.415
flat angles P-C4'-P energy: -30.739
tors. eta vs tors. theta energy: -63.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -646.490030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.490030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.490030 (E_RNA)
where:
Base-Base interactions energy: -437.253
where: short stacking energy: -195.038
Base-Backbone interact. energy: -0.150
local terms energy: -209.087127
where:
bonds (distance) C4'-P energy: -44.911
bonds (distance) P-C4' energy: -36.199
flat angles C4'-P-C4' energy: -43.838
flat angles P-C4'-P energy: -28.404
tors. eta vs tors. theta energy: -55.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -534.208474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.208474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.208474 (E_RNA)
where:
Base-Base interactions energy: -360.225
where: short stacking energy: -166.113
Base-Backbone interact. energy: -0.739
local terms energy: -173.244403
where:
bonds (distance) C4'-P energy: -34.538
bonds (distance) P-C4' energy: -35.568
flat angles C4'-P-C4' energy: -42.779
flat angles P-C4'-P energy: -17.894
tors. eta vs tors. theta energy: -42.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -482.968892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.968892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.968892 (E_RNA)
where:
Base-Base interactions energy: -311.694
where: short stacking energy: -137.011
Base-Backbone interact. energy: -0.125
local terms energy: -171.150104
where:
bonds (distance) C4'-P energy: -33.522
bonds (distance) P-C4' energy: -37.820
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -28.195
tors. eta vs tors. theta energy: -36.933
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: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -466.317474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.317474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.317474 (E_RNA)
where:
Base-Base interactions energy: -304.197
where: short stacking energy: -148.321
Base-Backbone interact. energy: -1.472
local terms energy: -160.648783
where:
bonds (distance) C4'-P energy: -42.136
bonds (distance) P-C4' energy: -30.539
flat angles C4'-P-C4' energy: -40.789
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -26.161
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: 9, replica: 10
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -277.841327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.841327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.841327 (E_RNA)
where:
Base-Base interactions energy: -152.389
where: short stacking energy: -81.791
Base-Backbone interact. energy: -1.523
local terms energy: -123.929322
where:
bonds (distance) C4'-P energy: -28.694
bonds (distance) P-C4' energy: -34.342
flat angles C4'-P-C4' energy: -35.295
flat angles P-C4'-P energy: -14.310
tors. eta vs tors. theta energy: -11.288
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: 10, replica: 9
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -228.237764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.237764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.237764 (E_RNA)
where:
Base-Base interactions energy: -105.897
where: short stacking energy: -64.621
Base-Backbone interact. energy: 1.603
local terms energy: -123.943974
where:
bonds (distance) C4'-P energy: -35.004
bonds (distance) P-C4' energy: -41.699
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: 1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -765.949362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.949362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.949362 (E_RNA)
where:
Base-Base interactions energy: -524.662
where: short stacking energy: -220.250
Base-Backbone interact. energy: -0.843
local terms energy: -240.444134
where:
bonds (distance) C4'-P energy: -42.842
bonds (distance) P-C4' energy: -48.453
flat angles C4'-P-C4' energy: -48.400
flat angles P-C4'-P energy: -35.083
tors. eta vs tors. theta energy: -65.666
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: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -760.333356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.333356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.333356 (E_RNA)
where:
Base-Base interactions energy: -530.027
where: short stacking energy: -220.536
Base-Backbone interact. energy: -1.669
local terms energy: -228.637832
where:
bonds (distance) C4'-P energy: -40.240
bonds (distance) P-C4' energy: -43.829
flat angles C4'-P-C4' energy: -50.007
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -57.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -699.453842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.453842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.453842 (E_RNA)
where:
Base-Base interactions energy: -475.505
where: short stacking energy: -212.285
Base-Backbone interact. energy: -0.923
local terms energy: -223.026372
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -42.216
flat angles C4'-P-C4' energy: -51.407
flat angles P-C4'-P energy: -30.264
tors. eta vs tors. theta energy: -62.697
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: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -691.568737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.568737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.568737 (E_RNA)
where:
Base-Base interactions energy: -472.422
where: short stacking energy: -197.411
Base-Backbone interact. energy: -1.126
local terms energy: -218.021376
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -38.599
flat angles C4'-P-C4' energy: -45.675
flat angles P-C4'-P energy: -29.184
tors. eta vs tors. theta energy: -62.290
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: 467
Temperature: 1.100000
Total energy: -653.872238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.872238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.872238 (E_RNA)
where:
Base-Base interactions energy: -432.413
where: short stacking energy: -208.614
Base-Backbone interact. energy: 0.053
local terms energy: -221.512340
where:
bonds (distance) C4'-P energy: -42.390
bonds (distance) P-C4' energy: -43.159
flat angles C4'-P-C4' energy: -46.278
flat angles P-C4'-P energy: -26.955
tors. eta vs tors. theta energy: -62.730
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: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -552.473965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.473965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.473965 (E_RNA)
where:
Base-Base interactions energy: -359.807
where: short stacking energy: -177.389
Base-Backbone interact. energy: -1.873
local terms energy: -190.793280
where:
bonds (distance) C4'-P energy: -38.221
bonds (distance) P-C4' energy: -41.358
flat angles C4'-P-C4' energy: -37.570
flat angles P-C4'-P energy: -27.749
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: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -466.131361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.131361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.131361 (E_RNA)
where:
Base-Base interactions energy: -319.508
where: short stacking energy: -136.600
Base-Backbone interact. energy: -0.189
local terms energy: -146.434452
where:
bonds (distance) C4'-P energy: -25.030
bonds (distance) P-C4' energy: -35.069
flat angles C4'-P-C4' energy: -32.962
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -30.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -440.553558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.553558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.553558 (E_RNA)
where:
Base-Base interactions energy: -266.185
where: short stacking energy: -115.219
Base-Backbone interact. energy: 0.336
local terms energy: -174.704890
where:
bonds (distance) C4'-P energy: -37.663
bonds (distance) P-C4' energy: -40.886
flat angles C4'-P-C4' energy: -47.793
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -263.868506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.868506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.868506 (E_RNA)
where:
Base-Base interactions energy: -120.567
where: short stacking energy: -69.518
Base-Backbone interact. energy: -1.014
local terms energy: -142.287690
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -41.352
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -24.121
tors. eta vs tors. theta energy: -13.406
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: 10, replica: 9
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -228.209762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.209762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.209762 (E_RNA)
where:
Base-Base interactions energy: -91.196
where: short stacking energy: -52.312
Base-Backbone interact. energy: 1.419
local terms energy: -138.432574
where:
bonds (distance) C4'-P energy: -39.781
bonds (distance) P-C4' energy: -40.710
flat angles C4'-P-C4' energy: -35.705
flat angles P-C4'-P energy: -24.230
tors. eta vs tors. theta energy: 1.994
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: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -768.926273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.926273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.926273 (E_RNA)
where:
Base-Base interactions energy: -543.705
where: short stacking energy: -227.820
Base-Backbone interact. energy: -2.144
local terms energy: -223.076709
where:
bonds (distance) C4'-P energy: -39.083
bonds (distance) P-C4' energy: -45.186
flat angles C4'-P-C4' energy: -45.720
flat angles P-C4'-P energy: -35.518
tors. eta vs tors. theta energy: -57.569
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: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -759.321099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.321099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.321099 (E_RNA)
where:
Base-Base interactions energy: -532.782
where: short stacking energy: -206.232
Base-Backbone interact. energy: -1.718
local terms energy: -224.821802
where:
bonds (distance) C4'-P energy: -46.106
bonds (distance) P-C4' energy: -42.602
flat angles C4'-P-C4' energy: -48.411
flat angles P-C4'-P energy: -27.203
tors. eta vs tors. theta energy: -60.500
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: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -704.935585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.935585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.935585 (E_RNA)
where:
Base-Base interactions energy: -481.509
where: short stacking energy: -204.601
Base-Backbone interact. energy: -0.358
local terms energy: -223.069082
where:
bonds (distance) C4'-P energy: -40.113
bonds (distance) P-C4' energy: -40.374
flat angles C4'-P-C4' energy: -46.588
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -61.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -712.286190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.286190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.286190 (E_RNA)
where:
Base-Base interactions energy: -478.087
where: short stacking energy: -210.658
Base-Backbone interact. energy: -0.198
local terms energy: -234.001565
where:
bonds (distance) C4'-P energy: -39.771
bonds (distance) P-C4' energy: -43.707
flat angles C4'-P-C4' energy: -49.656
flat angles P-C4'-P energy: -34.198
tors. eta vs tors. theta energy: -66.669
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: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -668.577512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.577512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.577512 (E_RNA)
where:
Base-Base interactions energy: -454.290
where: short stacking energy: -208.239
Base-Backbone interact. energy: 0.955
local terms energy: -215.242500
where:
bonds (distance) C4'-P energy: -32.053
bonds (distance) P-C4' energy: -38.695
flat angles C4'-P-C4' energy: -46.292
flat angles P-C4'-P energy: -32.677
tors. eta vs tors. theta energy: -65.525
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: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -531.473444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.473444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.473444 (E_RNA)
where:
Base-Base interactions energy: -351.765
where: short stacking energy: -154.214
Base-Backbone interact. energy: -1.448
local terms energy: -178.260103
where:
bonds (distance) C4'-P energy: -40.522
bonds (distance) P-C4' energy: -27.091
flat angles C4'-P-C4' energy: -43.638
flat angles P-C4'-P energy: -25.295
tors. eta vs tors. theta energy: -41.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -470.921534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.921534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.921534 (E_RNA)
where:
Base-Base interactions energy: -299.939
where: short stacking energy: -143.375
Base-Backbone interact. energy: 1.208
local terms energy: -172.191232
where:
bonds (distance) C4'-P energy: -38.136
bonds (distance) P-C4' energy: -37.266
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -35.041
tors. eta vs tors. theta energy: -33.019
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: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -383.359228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.359228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.359228 (E_RNA)
where:
Base-Base interactions energy: -224.727
where: short stacking energy: -118.604
Base-Backbone interact. energy: -0.211
local terms energy: -158.420807
where:
bonds (distance) C4'-P energy: -40.300
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -22.076
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: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -195.325728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.325728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.325728 (E_RNA)
where:
Base-Base interactions energy: -67.234
where: short stacking energy: -65.212
Base-Backbone interact. energy: -1.590
local terms energy: -126.501340
where:
bonds (distance) C4'-P energy: -42.125
bonds (distance) P-C4' energy: -35.620
flat angles C4'-P-C4' energy: -33.566
flat angles P-C4'-P energy: -25.391
tors. eta vs tors. theta energy: 10.200
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: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -241.531719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.531719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.531719 (E_RNA)
where:
Base-Base interactions energy: -100.357
where: short stacking energy: -76.723
Base-Backbone interact. energy: -0.583
local terms energy: -140.591106
where:
bonds (distance) C4'-P energy: -34.338
bonds (distance) P-C4' energy: -36.561
flat angles C4'-P-C4' energy: -39.011
flat angles P-C4'-P energy: -22.364
tors. eta vs tors. theta energy: -8.317
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: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -769.320594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.320594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.320594 (E_RNA)
where:
Base-Base interactions energy: -538.276
where: short stacking energy: -223.867
Base-Backbone interact. energy: -0.429
local terms energy: -230.615522
where:
bonds (distance) C4'-P energy: -41.316
bonds (distance) P-C4' energy: -48.926
flat angles C4'-P-C4' energy: -51.058
flat angles P-C4'-P energy: -25.836
tors. eta vs tors. theta energy: -63.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -761.412136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.412136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.412136 (E_RNA)
where:
Base-Base interactions energy: -530.604
where: short stacking energy: -225.392
Base-Backbone interact. energy: -3.114
local terms energy: -227.694544
where:
bonds (distance) C4'-P energy: -38.343
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -48.544
flat angles P-C4'-P energy: -35.109
tors. eta vs tors. theta energy: -63.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -710.032219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.032219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.032219 (E_RNA)
where:
Base-Base interactions energy: -480.887
where: short stacking energy: -204.869
Base-Backbone interact. energy: -1.250
local terms energy: -227.895013
where:
bonds (distance) C4'-P energy: -40.207
bonds (distance) P-C4' energy: -47.253
flat angles C4'-P-C4' energy: -45.147
flat angles P-C4'-P energy: -28.504
tors. eta vs tors. theta energy: -66.784
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: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -688.759452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.759452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.759452 (E_RNA)
where:
Base-Base interactions energy: -458.609
where: short stacking energy: -201.313
Base-Backbone interact. energy: -0.313
local terms energy: -229.836844
where:
bonds (distance) C4'-P energy: -44.144
bonds (distance) P-C4' energy: -43.652
flat angles C4'-P-C4' energy: -49.676
flat angles P-C4'-P energy: -29.361
tors. eta vs tors. theta energy: -63.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -657.060073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.060073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.060073 (E_RNA)
where:
Base-Base interactions energy: -448.227
where: short stacking energy: -201.308
Base-Backbone interact. energy: -0.524
local terms energy: -208.309232
where:
bonds (distance) C4'-P energy: -33.586
bonds (distance) P-C4' energy: -32.207
flat angles C4'-P-C4' energy: -43.950
flat angles P-C4'-P energy: -34.309
tors. eta vs tors. theta energy: -64.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -563.719970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.719970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.719970 (E_RNA)
where:
Base-Base interactions energy: -392.849
where: short stacking energy: -157.405
Base-Backbone interact. energy: -0.422
local terms energy: -170.448291
where:
bonds (distance) C4'-P energy: -35.435
bonds (distance) P-C4' energy: -34.005
flat angles C4'-P-C4' energy: -44.641
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -36.588
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: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -463.050069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.050069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.050069 (E_RNA)
where:
Base-Base interactions energy: -280.500
where: short stacking energy: -120.178
Base-Backbone interact. energy: -0.849
local terms energy: -181.700905
where:
bonds (distance) C4'-P energy: -44.914
bonds (distance) P-C4' energy: -42.432
flat angles C4'-P-C4' energy: -40.273
flat angles P-C4'-P energy: -29.402
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -450.057335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.057335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.057335 (E_RNA)
where:
Base-Base interactions energy: -296.241
where: short stacking energy: -135.196
Base-Backbone interact. energy: -0.731
local terms energy: -153.085952
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -33.307
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -23.442
tors. eta vs tors. theta energy: -23.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -213.172037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.172037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.172037 (E_RNA)
where:
Base-Base interactions energy: -82.196
where: short stacking energy: -59.194
Base-Backbone interact. energy: -0.637
local terms energy: -130.339309
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -31.903
flat angles C4'-P-C4' energy: -31.103
flat angles P-C4'-P energy: -31.410
tors. eta vs tors. theta energy: 3.101
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: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -202.418198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.418198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.418198 (E_RNA)
where:
Base-Base interactions energy: -74.902
where: short stacking energy: -60.284
Base-Backbone interact. energy: 0.307
local terms energy: -127.823755
where:
bonds (distance) C4'-P energy: -36.618
bonds (distance) P-C4' energy: -24.760
flat angles C4'-P-C4' energy: -37.258
flat angles P-C4'-P energy: -27.274
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -760.819805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.819805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.819805 (E_RNA)
where:
Base-Base interactions energy: -540.517
where: short stacking energy: -225.798
Base-Backbone interact. energy: -2.722
local terms energy: -217.581269
where:
bonds (distance) C4'-P energy: -38.422
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -45.023
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: -57.934
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: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -747.512230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.512230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.512230 (E_RNA)
where:
Base-Base interactions energy: -516.056
where: short stacking energy: -222.355
Base-Backbone interact. energy: -3.523
local terms energy: -227.933167
where:
bonds (distance) C4'-P energy: -45.429
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -51.990
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -64.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -707.637224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.637224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.637224 (E_RNA)
where:
Base-Base interactions energy: -476.967
where: short stacking energy: -219.303
Base-Backbone interact. energy: -2.253
local terms energy: -228.417499
where:
bonds (distance) C4'-P energy: -37.682
bonds (distance) P-C4' energy: -44.783
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -32.086
tors. eta vs tors. theta energy: -63.675
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: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -705.335901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.335901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.335901 (E_RNA)
where:
Base-Base interactions energy: -477.168
where: short stacking energy: -217.089
Base-Backbone interact. energy: -0.548
local terms energy: -227.619373
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -42.390
flat angles C4'-P-C4' energy: -52.515
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -61.852
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: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -660.767764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.767764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.767764 (E_RNA)
where:
Base-Base interactions energy: -441.480
where: short stacking energy: -201.476
Base-Backbone interact. energy: -0.656
local terms energy: -218.631873
where:
bonds (distance) C4'-P energy: -37.350
bonds (distance) P-C4' energy: -39.979
flat angles C4'-P-C4' energy: -44.668
flat angles P-C4'-P energy: -32.866
tors. eta vs tors. theta energy: -63.769
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: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -550.341348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.341348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.341348 (E_RNA)
where:
Base-Base interactions energy: -369.258
where: short stacking energy: -164.038
Base-Backbone interact. energy: -0.710
local terms energy: -180.373030
where:
bonds (distance) C4'-P energy: -33.734
bonds (distance) P-C4' energy: -39.126
flat angles C4'-P-C4' energy: -41.521
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -38.022
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: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -475.309105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.309105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.309105 (E_RNA)
where:
Base-Base interactions energy: -316.814
where: short stacking energy: -141.251
Base-Backbone interact. energy: 0.664
local terms energy: -159.159818
where:
bonds (distance) C4'-P energy: -33.882
bonds (distance) P-C4' energy: -34.425
flat angles C4'-P-C4' energy: -41.524
flat angles P-C4'-P energy: -22.889
tors. eta vs tors. theta energy: -26.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -432.355267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.355267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.355267 (E_RNA)
where:
Base-Base interactions energy: -269.976
where: short stacking energy: -119.622
Base-Backbone interact. energy: 2.046
local terms energy: -164.425334
where:
bonds (distance) C4'-P energy: -41.414
bonds (distance) P-C4' energy: -40.030
flat angles C4'-P-C4' energy: -38.099
flat angles P-C4'-P energy: -25.726
tors. eta vs tors. theta energy: -19.157
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: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -205.215876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.215876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.215876 (E_RNA)
where:
Base-Base interactions energy: -75.272
where: short stacking energy: -65.343
Base-Backbone interact. energy: -0.080
local terms energy: -129.864575
where:
bonds (distance) C4'-P energy: -35.723
bonds (distance) P-C4' energy: -38.848
flat angles C4'-P-C4' energy: -34.735
flat angles P-C4'-P energy: -23.269
tors. eta vs tors. theta energy: 2.711
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: 470
Temperature: 1.350000
Total energy: -196.846554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.846554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.846554 (E_RNA)
where:
Base-Base interactions energy: -75.369
where: short stacking energy: -58.211
Base-Backbone interact. energy: 2.547
local terms energy: -124.023772
where:
bonds (distance) C4'-P energy: -41.648
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -30.260
flat angles P-C4'-P energy: -22.544
tors. eta vs tors. theta energy: 8.259
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: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -744.084290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.084290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.084290 (E_RNA)
where:
Base-Base interactions energy: -514.096
where: short stacking energy: -222.226
Base-Backbone interact. energy: -0.978
local terms energy: -229.009380
where:
bonds (distance) C4'-P energy: -37.675
bonds (distance) P-C4' energy: -50.288
flat angles C4'-P-C4' energy: -52.833
flat angles P-C4'-P energy: -29.604
tors. eta vs tors. theta energy: -58.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -754.706316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.706316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.706316 (E_RNA)
where:
Base-Base interactions energy: -510.237
where: short stacking energy: -216.500
Base-Backbone interact. energy: -2.675
local terms energy: -241.793685
where:
bonds (distance) C4'-P energy: -42.931
bonds (distance) P-C4' energy: -48.013
flat angles C4'-P-C4' energy: -50.397
flat angles P-C4'-P energy: -34.119
tors. eta vs tors. theta energy: -66.334
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: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -712.147359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.147359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.147359 (E_RNA)
where:
Base-Base interactions energy: -483.006
where: short stacking energy: -220.302
Base-Backbone interact. energy: -0.046
local terms energy: -229.095363
where:
bonds (distance) C4'-P energy: -39.610
bonds (distance) P-C4' energy: -47.472
flat angles C4'-P-C4' energy: -48.146
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -65.543
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: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -682.566323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.566323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.566323 (E_RNA)
where:
Base-Base interactions energy: -467.280
where: short stacking energy: -209.000
Base-Backbone interact. energy: -0.356
local terms energy: -214.930234
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -49.875
flat angles P-C4'-P energy: -29.202
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: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -676.628807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.628807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.628807 (E_RNA)
where:
Base-Base interactions energy: -470.147
where: short stacking energy: -211.635
Base-Backbone interact. energy: -1.207
local terms energy: -205.274609
where:
bonds (distance) C4'-P energy: -34.431
bonds (distance) P-C4' energy: -33.557
flat angles C4'-P-C4' energy: -40.707
flat angles P-C4'-P energy: -30.747
tors. eta vs tors. theta energy: -65.833
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: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -533.319825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.319825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.319825 (E_RNA)
where:
Base-Base interactions energy: -347.621
where: short stacking energy: -155.960
Base-Backbone interact. energy: -1.021
local terms energy: -184.677231
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -40.199
flat angles C4'-P-C4' energy: -44.081
flat angles P-C4'-P energy: -24.415
tors. eta vs tors. theta energy: -32.400
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: 7, replica: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -497.303721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.303721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.303721 (E_RNA)
where:
Base-Base interactions energy: -308.746
where: short stacking energy: -158.394
Base-Backbone interact. energy: 0.197
local terms energy: -188.755367
where:
bonds (distance) C4'-P energy: -43.561
bonds (distance) P-C4' energy: -44.952
flat angles C4'-P-C4' energy: -30.134
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -47.454
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: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -433.015824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.015824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.015824 (E_RNA)
where:
Base-Base interactions energy: -277.630
where: short stacking energy: -118.774
Base-Backbone interact. energy: -2.156
local terms energy: -153.229854
where:
bonds (distance) C4'-P energy: -39.743
bonds (distance) P-C4' energy: -40.131
flat angles C4'-P-C4' energy: -31.067
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -28.283
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: 471
Temperature: 1.300000
Total energy: -213.201831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.201831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.201831 (E_RNA)
where:
Base-Base interactions energy: -85.458
where: short stacking energy: -63.723
Base-Backbone interact. energy: -1.430
local terms energy: -126.314248
where:
bonds (distance) C4'-P energy: -36.519
bonds (distance) P-C4' energy: -27.277
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -23.990
tors. eta vs tors. theta energy: -5.450
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: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -206.348816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.348816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.348816 (E_RNA)
where:
Base-Base interactions energy: -73.509
where: short stacking energy: -63.448
Base-Backbone interact. energy: -0.570
local terms energy: -132.269985
where:
bonds (distance) C4'-P energy: -37.968
bonds (distance) P-C4' energy: -36.510
flat angles C4'-P-C4' energy: -34.665
flat angles P-C4'-P energy: -26.155
tors. eta vs tors. theta energy: 3.028
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: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -757.092085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.092085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.092085 (E_RNA)
where:
Base-Base interactions energy: -522.606
where: short stacking energy: -218.871
Base-Backbone interact. energy: -2.255
local terms energy: -232.230585
where:
bonds (distance) C4'-P energy: -45.432
bonds (distance) P-C4' energy: -38.156
flat angles C4'-P-C4' energy: -54.500
flat angles P-C4'-P energy: -32.087
tors. eta vs tors. theta energy: -62.055
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: 2, replica: 4
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -727.961487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.961487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.961487 (E_RNA)
where:
Base-Base interactions energy: -500.655
where: short stacking energy: -212.235
Base-Backbone interact. energy: -0.744
local terms energy: -226.562645
where:
bonds (distance) C4'-P energy: -41.045
bonds (distance) P-C4' energy: -43.859
flat angles C4'-P-C4' energy: -55.283
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: -53.823
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: 3, replica: 5
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -725.543667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.543667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.543667 (E_RNA)
where:
Base-Base interactions energy: -490.341
where: short stacking energy: -225.847
Base-Backbone interact. energy: -0.194
local terms energy: -235.008950
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -43.033
flat angles C4'-P-C4' energy: -48.433
flat angles P-C4'-P energy: -31.621
tors. eta vs tors. theta energy: -70.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -676.179636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.179636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.179636 (E_RNA)
where:
Base-Base interactions energy: -451.428
where: short stacking energy: -218.858
Base-Backbone interact. energy: 0.045
local terms energy: -224.797144
where:
bonds (distance) C4'-P energy: -41.331
bonds (distance) P-C4' energy: -41.319
flat angles C4'-P-C4' energy: -45.726
flat angles P-C4'-P energy: -28.237
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: 5, replica: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -684.521243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.521243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.521243 (E_RNA)
where:
Base-Base interactions energy: -463.458
where: short stacking energy: -200.810
Base-Backbone interact. energy: -1.502
local terms energy: -219.561241
where:
bonds (distance) C4'-P energy: -41.118
bonds (distance) P-C4' energy: -43.582
flat angles C4'-P-C4' energy: -48.420
flat angles P-C4'-P energy: -28.839
tors. eta vs tors. theta energy: -57.602
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: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -554.081139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.081139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.081139 (E_RNA)
where:
Base-Base interactions energy: -370.792
where: short stacking energy: -159.086
Base-Backbone interact. energy: 0.620
local terms energy: -183.909065
where:
bonds (distance) C4'-P energy: -36.845
bonds (distance) P-C4' energy: -34.367
flat angles C4'-P-C4' energy: -43.531
flat angles P-C4'-P energy: -26.682
tors. eta vs tors. theta energy: -42.484
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: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -526.033603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.033603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.033603 (E_RNA)
where:
Base-Base interactions energy: -355.062
where: short stacking energy: -154.740
Base-Backbone interact. energy: -0.748
local terms energy: -170.223292
where:
bonds (distance) C4'-P energy: -39.237
bonds (distance) P-C4' energy: -35.225
flat angles C4'-P-C4' energy: -41.959
flat angles P-C4'-P energy: -18.953
tors. eta vs tors. theta energy: -34.849
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: 472
Temperature: 1.250000
Total energy: -440.217716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.217716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.217716 (E_RNA)
where:
Base-Base interactions energy: -283.371
where: short stacking energy: -126.335
Base-Backbone interact. energy: -1.271
local terms energy: -155.575951
where:
bonds (distance) C4'-P energy: -26.122
bonds (distance) P-C4' energy: -37.834
flat angles C4'-P-C4' energy: -40.947
flat angles P-C4'-P energy: -18.917
tors. eta vs tors. theta energy: -31.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -213.838818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.838818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.838818 (E_RNA)
where:
Base-Base interactions energy: -79.633
where: short stacking energy: -63.522
Base-Backbone interact. energy: 1.265
local terms energy: -135.471122
where:
bonds (distance) C4'-P energy: -37.658
bonds (distance) P-C4' energy: -45.053
flat angles C4'-P-C4' energy: -34.665
flat angles P-C4'-P energy: -20.824
tors. eta vs tors. theta energy: 2.729
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: 10, replica: 9
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -218.688013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.688013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.688013 (E_RNA)
where:
Base-Base interactions energy: -97.453
where: short stacking energy: -60.881
Base-Backbone interact. energy: -0.650
local terms energy: -120.584928
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -44.723
flat angles C4'-P-C4' energy: -30.254
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: 7.553
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: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -779.223522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.223522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.223522 (E_RNA)
where:
Base-Base interactions energy: -541.860
where: short stacking energy: -219.250
Base-Backbone interact. energy: -1.338
local terms energy: -236.026048
where:
bonds (distance) C4'-P energy: -44.125
bonds (distance) P-C4' energy: -50.160
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -67.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -758.041668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.041668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.041668 (E_RNA)
where:
Base-Base interactions energy: -530.723
where: short stacking energy: -204.536
Base-Backbone interact. energy: -3.006
local terms energy: -224.312749
where:
bonds (distance) C4'-P energy: -37.105
bonds (distance) P-C4' energy: -50.483
flat angles C4'-P-C4' energy: -49.204
flat angles P-C4'-P energy: -34.161
tors. eta vs tors. theta energy: -53.359
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: 5
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -705.115097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.115097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.115097 (E_RNA)
where:
Base-Base interactions energy: -480.077
where: short stacking energy: -210.761
Base-Backbone interact. energy: -0.685
local terms energy: -224.352819
where:
bonds (distance) C4'-P energy: -34.295
bonds (distance) P-C4' energy: -44.209
flat angles C4'-P-C4' energy: -50.756
flat angles P-C4'-P energy: -32.509
tors. eta vs tors. theta energy: -62.583
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: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -689.220515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.220515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.220515 (E_RNA)
where:
Base-Base interactions energy: -479.218
where: short stacking energy: -218.816
Base-Backbone interact. energy: -0.852
local terms energy: -209.150952
where:
bonds (distance) C4'-P energy: -39.984
bonds (distance) P-C4' energy: -36.363
flat angles C4'-P-C4' energy: -39.179
flat angles P-C4'-P energy: -33.226
tors. eta vs tors. theta energy: -60.398
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: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -668.166043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.166043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.166043 (E_RNA)
where:
Base-Base interactions energy: -452.262
where: short stacking energy: -209.463
Base-Backbone interact. energy: -0.188
local terms energy: -215.715954
where:
bonds (distance) C4'-P energy: -35.635
bonds (distance) P-C4' energy: -40.680
flat angles C4'-P-C4' energy: -45.789
flat angles P-C4'-P energy: -31.382
tors. eta vs tors. theta energy: -62.230
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: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -555.139326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.139326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.139326 (E_RNA)
where:
Base-Base interactions energy: -360.326
where: short stacking energy: -171.357
Base-Backbone interact. energy: -0.616
local terms energy: -194.196743
where:
bonds (distance) C4'-P energy: -43.333
bonds (distance) P-C4' energy: -35.737
flat angles C4'-P-C4' energy: -47.156
flat angles P-C4'-P energy: -27.488
tors. eta vs tors. theta energy: -40.482
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: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -512.000422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.000422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.000422 (E_RNA)
where:
Base-Base interactions energy: -342.577
where: short stacking energy: -145.394
Base-Backbone interact. energy: -0.920
local terms energy: -168.503405
where:
bonds (distance) C4'-P energy: -42.437
bonds (distance) P-C4' energy: -42.405
flat angles C4'-P-C4' energy: -41.103
flat angles P-C4'-P energy: -8.964
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: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -424.178029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.178029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.178029 (E_RNA)
where:
Base-Base interactions energy: -262.273
where: short stacking energy: -131.386
Base-Backbone interact. energy: -0.536
local terms energy: -161.369816
where:
bonds (distance) C4'-P energy: -37.189
bonds (distance) P-C4' energy: -35.358
flat angles C4'-P-C4' energy: -37.045
flat angles P-C4'-P energy: -15.052
tors. eta vs tors. theta energy: -36.726
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: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -208.660340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.660340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.660340 (E_RNA)
where:
Base-Base interactions energy: -66.731
where: short stacking energy: -57.089
Base-Backbone interact. energy: -1.855
local terms energy: -140.073988
where:
bonds (distance) C4'-P energy: -40.319
bonds (distance) P-C4' energy: -35.304
flat angles C4'-P-C4' energy: -35.883
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -5.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -244.856933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.856933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.856933 (E_RNA)
where:
Base-Base interactions energy: -119.115
where: short stacking energy: -68.412
Base-Backbone interact. energy: 1.127
local terms energy: -126.869620
where:
bonds (distance) C4'-P energy: -37.454
bonds (distance) P-C4' energy: -42.473
flat angles C4'-P-C4' energy: -25.000
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -2.003
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: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -766.421161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.421161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.421161 (E_RNA)
where:
Base-Base interactions energy: -538.671
where: short stacking energy: -226.093
Base-Backbone interact. energy: -1.587
local terms energy: -226.163082
where:
bonds (distance) C4'-P energy: -35.534
bonds (distance) P-C4' energy: -42.982
flat angles C4'-P-C4' energy: -47.586
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -63.482
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: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -749.074182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.074182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.074182 (E_RNA)
where:
Base-Base interactions energy: -530.251
where: short stacking energy: -210.652
Base-Backbone interact. energy: 1.056
local terms energy: -219.879077
where:
bonds (distance) C4'-P energy: -35.597
bonds (distance) P-C4' energy: -46.602
flat angles C4'-P-C4' energy: -51.563
flat angles P-C4'-P energy: -33.509
tors. eta vs tors. theta energy: -52.608
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: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -716.028873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.028873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.028873 (E_RNA)
where:
Base-Base interactions energy: -483.973
where: short stacking energy: -221.866
Base-Backbone interact. energy: -0.297
local terms energy: -231.759099
where:
bonds (distance) C4'-P energy: -47.096
bonds (distance) P-C4' energy: -37.758
flat angles C4'-P-C4' energy: -51.587
flat angles P-C4'-P energy: -29.013
tors. eta vs tors. theta energy: -66.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -691.116591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.116591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.116591 (E_RNA)
where:
Base-Base interactions energy: -467.849
where: short stacking energy: -198.598
Base-Backbone interact. energy: -0.463
local terms energy: -222.804979
where:
bonds (distance) C4'-P energy: -33.150
bonds (distance) P-C4' energy: -41.389
flat angles C4'-P-C4' energy: -54.414
flat angles P-C4'-P energy: -34.104
tors. eta vs tors. theta energy: -59.748
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: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -672.894498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.894498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.894498 (E_RNA)
where:
Base-Base interactions energy: -446.690
where: short stacking energy: -222.202
Base-Backbone interact. energy: -0.061
local terms energy: -226.143231
where:
bonds (distance) C4'-P energy: -42.162
bonds (distance) P-C4' energy: -36.606
flat angles C4'-P-C4' energy: -47.682
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: -67.914
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: 474
Temperature: 1.150000
Total energy: -513.915516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.915516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.915516 (E_RNA)
where:
Base-Base interactions energy: -330.972
where: short stacking energy: -164.537
Base-Backbone interact. energy: -0.435
local terms energy: -182.508266
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -39.189
flat angles C4'-P-C4' energy: -44.382
flat angles P-C4'-P energy: -33.397
tors. eta vs tors. theta energy: -30.615
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: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -552.345866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.345866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.345866 (E_RNA)
where:
Base-Base interactions energy: -370.490
where: short stacking energy: -168.098
Base-Backbone interact. energy: 1.229
local terms energy: -183.084606
where:
bonds (distance) C4'-P energy: -30.607
bonds (distance) P-C4' energy: -42.139
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -49.919
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: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -441.636328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.636328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.636328 (E_RNA)
where:
Base-Base interactions energy: -275.695
where: short stacking energy: -132.395
Base-Backbone interact. energy: -1.032
local terms energy: -164.909384
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -29.767
flat angles C4'-P-C4' energy: -42.311
flat angles P-C4'-P energy: -27.081
tors. eta vs tors. theta energy: -28.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -256.182609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.182609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.182609 (E_RNA)
where:
Base-Base interactions energy: -110.776
where: short stacking energy: -79.330
Base-Backbone interact. energy: 0.274
local terms energy: -145.680473
where:
bonds (distance) C4'-P energy: -39.227
bonds (distance) P-C4' energy: -44.287
flat angles C4'-P-C4' energy: -32.987
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -4.984
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: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -184.850524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.850524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.850524 (E_RNA)
where:
Base-Base interactions energy: -71.956
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.843
local terms energy: -112.051751
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -29.208
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: 3.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -769.317769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.317769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.317769 (E_RNA)
where:
Base-Base interactions energy: -526.708
where: short stacking energy: -219.330
Base-Backbone interact. energy: -2.626
local terms energy: -239.983694
where:
bonds (distance) C4'-P energy: -44.113
bonds (distance) P-C4' energy: -44.183
flat angles C4'-P-C4' energy: -51.977
flat angles P-C4'-P energy: -39.344
tors. eta vs tors. theta energy: -60.366
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: 2, replica: 4
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -757.337665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.337665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.337665 (E_RNA)
where:
Base-Base interactions energy: -526.132
where: short stacking energy: -235.858
Base-Backbone interact. energy: -2.348
local terms energy: -228.857482
where:
bonds (distance) C4'-P energy: -42.157
bonds (distance) P-C4' energy: -39.007
flat angles C4'-P-C4' energy: -46.270
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -66.664
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: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -717.110355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.110355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.110355 (E_RNA)
where:
Base-Base interactions energy: -488.095
where: short stacking energy: -222.121
Base-Backbone interact. energy: -1.623
local terms energy: -227.392792
where:
bonds (distance) C4'-P energy: -36.798
bonds (distance) P-C4' energy: -45.057
flat angles C4'-P-C4' energy: -47.767
flat angles P-C4'-P energy: -32.440
tors. eta vs tors. theta energy: -65.330
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: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -674.891526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.891526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.891526 (E_RNA)
where:
Base-Base interactions energy: -444.035
where: short stacking energy: -205.348
Base-Backbone interact. energy: -0.468
local terms energy: -230.388014
where:
bonds (distance) C4'-P energy: -47.750
bonds (distance) P-C4' energy: -44.903
flat angles C4'-P-C4' energy: -42.498
flat angles P-C4'-P energy: -31.091
tors. eta vs tors. theta energy: -64.146
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: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -679.528052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.528052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.528052 (E_RNA)
where:
Base-Base interactions energy: -465.490
where: short stacking energy: -196.028
Base-Backbone interact. energy: -2.363
local terms energy: -211.675693
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -36.711
flat angles C4'-P-C4' energy: -44.919
flat angles P-C4'-P energy: -27.498
tors. eta vs tors. theta energy: -59.848
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: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -561.821662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.821662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.821662 (E_RNA)
where:
Base-Base interactions energy: -394.960
where: short stacking energy: -173.868
Base-Backbone interact. energy: 3.125
local terms energy: -169.986881
where:
bonds (distance) C4'-P energy: -26.730
bonds (distance) P-C4' energy: -44.095
flat angles C4'-P-C4' energy: -37.403
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: -37.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -503.071537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.071537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.071537 (E_RNA)
where:
Base-Base interactions energy: -315.963
where: short stacking energy: -137.918
Base-Backbone interact. energy: -1.864
local terms energy: -185.244352
where:
bonds (distance) C4'-P energy: -39.891
bonds (distance) P-C4' energy: -38.355
flat angles C4'-P-C4' energy: -41.590
flat angles P-C4'-P energy: -35.891
tors. eta vs tors. theta energy: -29.516
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: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -486.620609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.620609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.620609 (E_RNA)
where:
Base-Base interactions energy: -318.865
where: short stacking energy: -139.028
Base-Backbone interact. energy: -0.084
local terms energy: -167.671589
where:
bonds (distance) C4'-P energy: -32.980
bonds (distance) P-C4' energy: -37.495
flat angles C4'-P-C4' energy: -35.862
flat angles P-C4'-P energy: -25.932
tors. eta vs tors. theta energy: -35.402
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: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -298.874764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.874764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.874764 (E_RNA)
where:
Base-Base interactions energy: -165.332
where: short stacking energy: -81.507
Base-Backbone interact. energy: 1.045
local terms energy: -134.587751
where:
bonds (distance) C4'-P energy: -34.640
bonds (distance) P-C4' energy: -31.328
flat angles C4'-P-C4' energy: -37.462
flat angles P-C4'-P energy: -25.191
tors. eta vs tors. theta energy: -5.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -190.412095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.412095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.412095 (E_RNA)
where:
Base-Base interactions energy: -59.756
where: short stacking energy: -49.835
Base-Backbone interact. energy: 1.081
local terms energy: -131.737490
where:
bonds (distance) C4'-P energy: -40.497
bonds (distance) P-C4' energy: -43.737
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -22.872
tors. eta vs tors. theta energy: 0.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -771.175391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.175391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.175391 (E_RNA)
where:
Base-Base interactions energy: -524.976
where: short stacking energy: -216.874
Base-Backbone interact. energy: -0.285
local terms energy: -245.914952
where:
bonds (distance) C4'-P energy: -47.377
bonds (distance) P-C4' energy: -47.567
flat angles C4'-P-C4' energy: -50.402
flat angles P-C4'-P energy: -36.834
tors. eta vs tors. theta energy: -63.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -759.061873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.061873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.061873 (E_RNA)
where:
Base-Base interactions energy: -523.445
where: short stacking energy: -218.939
Base-Backbone interact. energy: -3.427
local terms energy: -232.190426
where:
bonds (distance) C4'-P energy: -47.201
bonds (distance) P-C4' energy: -44.504
flat angles C4'-P-C4' energy: -49.244
flat angles P-C4'-P energy: -31.222
tors. eta vs tors. theta energy: -60.019
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: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -728.903282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.903282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.903282 (E_RNA)
where:
Base-Base interactions energy: -496.735
where: short stacking energy: -223.315
Base-Backbone interact. energy: -0.890
local terms energy: -231.278210
where:
bonds (distance) C4'-P energy: -48.646
bonds (distance) P-C4' energy: -35.424
flat angles C4'-P-C4' energy: -52.841
flat angles P-C4'-P energy: -29.808
tors. eta vs tors. theta energy: -64.559
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: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -671.776212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.776212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.776212 (E_RNA)
where:
Base-Base interactions energy: -452.853
where: short stacking energy: -221.739
Base-Backbone interact. energy: -1.582
local terms energy: -217.341524
where:
bonds (distance) C4'-P energy: -40.578
bonds (distance) P-C4' energy: -37.379
flat angles C4'-P-C4' energy: -47.783
flat angles P-C4'-P energy: -25.886
tors. eta vs tors. theta energy: -65.716
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: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -666.178469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.178469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.178469 (E_RNA)
where:
Base-Base interactions energy: -446.005
where: short stacking energy: -190.265
Base-Backbone interact. energy: -0.296
local terms energy: -219.877471
where:
bonds (distance) C4'-P energy: -46.363
bonds (distance) P-C4' energy: -39.354
flat angles C4'-P-C4' energy: -46.709
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -60.980
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: 6, replica: 3
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -586.288215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.288215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.288215 (E_RNA)
where:
Base-Base interactions energy: -389.786
where: short stacking energy: -180.335
Base-Backbone interact. energy: -1.007
local terms energy: -195.494509
where:
bonds (distance) C4'-P energy: -32.038
bonds (distance) P-C4' energy: -41.649
flat angles C4'-P-C4' energy: -41.531
flat angles P-C4'-P energy: -29.762
tors. eta vs tors. theta energy: -50.514
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: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -527.755495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.755495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.755495 (E_RNA)
where:
Base-Base interactions energy: -342.650
where: short stacking energy: -158.419
Base-Backbone interact. energy: -0.815
local terms energy: -184.290259
where:
bonds (distance) C4'-P energy: -40.497
bonds (distance) P-C4' energy: -36.455
flat angles C4'-P-C4' energy: -40.308
flat angles P-C4'-P energy: -24.162
tors. eta vs tors. theta energy: -42.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -512.904567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.904567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.904567 (E_RNA)
where:
Base-Base interactions energy: -347.863
where: short stacking energy: -148.163
Base-Backbone interact. energy: -2.025
local terms energy: -163.016038
where:
bonds (distance) C4'-P energy: -37.676
bonds (distance) P-C4' energy: -38.241
flat angles C4'-P-C4' energy: -31.248
flat angles P-C4'-P energy: -27.246
tors. eta vs tors. theta energy: -28.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -301.465575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.465575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.465575 (E_RNA)
where:
Base-Base interactions energy: -163.898
where: short stacking energy: -94.714
Base-Backbone interact. energy: -1.585
local terms energy: -135.982352
where:
bonds (distance) C4'-P energy: -43.586
bonds (distance) P-C4' energy: -36.520
flat angles C4'-P-C4' energy: -33.102
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -1.171
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: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -178.957451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.957451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.957451 (E_RNA)
where:
Base-Base interactions energy: -53.775
where: short stacking energy: -54.037
Base-Backbone interact. energy: -0.891
local terms energy: -124.291399
where:
bonds (distance) C4'-P energy: -28.266
bonds (distance) P-C4' energy: -43.942
flat angles C4'-P-C4' energy: -41.507
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: 6.618
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)
out arg RESULTS//1/test-f4bd3497_01
DONE
DONE
DONE
DONE